2-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)amino]ethanoic acid

Systemtic Name: 2-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)amino]ethanoic acid Openeye Name: 2-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]-[4-(4-pyridyl)piperazin-1-yl]amino]acetic acid CAS Name: 2-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]-(4-pyridin-4-yl-1-piperazinyl)amino]acetic acid IUPAC Name: 2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)amino]acetic acid Traditional Name: 2-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]-[4-(4-pyridyl)piperazino]amino]acetic acid Formula: C25H27ClN6O5S MolecularWeight: 559.03708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)N(CC(=O)O)N3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)N(CC(=O)O)N3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C25H27ClN6O5S/c26-21-3-1-20-16-23(4-2-19(20)15-21)38(36,37)30-13-14-31(24(33)17-30)32(18-25(34)35)29-11-9-28(10-12-29)22-5-7-27-8-6-22/h1-8,15-16H,9-14,17-18H2,(H,34,35)