2-[1-[4-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazin-2-yl]piperidin-2-yl]-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-one

Systemtic Name: 2-[1-[4-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-(oxidanylidenemethylidene)-1-pyridin-4-yl-piperazin-2-yl]piperidin-2-yl]-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazin-3-one Openeye Name: 2-[1-[4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-(oxomethylene)-1-(4-pyridyl)piperazin-2-yl]-2-piperidyl]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-one CAS Name: 2-[1-[4-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-(oxomethylidene)-1-pyridin-4-yl-2-piperazinyl]-2-piperidinyl]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-one IUPAC Name: 2-[1-[4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-(oxomethylidene)-1-pyridin-4-ylpiperazin-2-yl]piperidin-2-yl]-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-3-one Traditional Name: 1,1-diketo-2-[1-[3-(ketomethylene)-1-(4-pyridyl)-4-tyrosyl-piperazin-2-yl]-2-piperidyl]-4H-1$l^{6},2,4-benzothiadiazin-3-one Formula: C31H33N7O6S MolecularWeight: 631.70202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)N2C(=O)NC3=CC=CC=C3S2(=O)=O)C4C(=C=O)N(CCN4C5=CC=NC=C5)C(=O)C(CC6=CC=C(C=C6)O)N

Isomeric SMILES

C1CCN(C(C1)N2C(=O)NC3=CC=CC=C3S2(=O)=O)C4C(=C=O)N(CCN4C5=CC=NC=C5)C(=O)C(CC6=CC=C(C=C6)O)N

InChI

InChI=1S/C31H33N7O6S/c32-24(19-21-8-10-23(40)11-9-21)30(41)36-18-17-35(22-12-14-33-15-13-22)29(26(36)20-39)37-16-4-3-7-28(37)38-31(42)34-25-5-1-2-6-27(25)45(38,43)44/h1-2,5-6,8-15,24,28-29,40H,3-4,7,16-19,32H2,(H,34,42)