4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]-6-oxo-piperazine-2-carboxylic acid CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[methyl-(1-pyridin-4-yl-4-piperidinyl)amino]-6-oxo-2-piperazinecarboxylic acid IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxopiperazine-2-carboxylic acid Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-[methyl-[1-(4-pyridyl)-4-piperidyl]amino]piperazine-2-carboxylic acid Formula: C26H28ClN5O5S MolecularWeight: 558.04902

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)C2=CC=NC=C2)N3C(CN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)C(=O)O

Isomeric SMILES

CN(C1CCN(CC1)C2=CC=NC=C2)N3C(CN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C26H28ClN5O5S/c1-29(21-8-12-30(13-9-21)22-6-10-28-11-7-22)32-24(26(34)35)16-31(17-25(32)33)38(36,37)23-5-3-18-14-20(27)4-2-19(18)15-23/h2-7,10-11,14-15,21,24H,8-9,12-13,16-17H2,1H3,(H,34,35)