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

Systemtic Name: (2S)-4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-oxidanylidene-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid Openeye Name: (2S)-4-[(6-chloro-2-naphthyl)sulfonyl]-6-oxo-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylic acid CAS Name: (2S)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinecarboxylic acid IUPAC Name: (2S)-4-(6-chloronaphthalen-2-yl)sulfonyl-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid Traditional Name: (2S)-4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylic acid Formula: C26H27ClN4O5S MolecularWeight: 543.03438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(CN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CN2[C@@H](CN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O)C5=CC=NC=C5

InChI

InChI=1S/C26H27ClN4O5S/c27-21-3-1-20-14-23(4-2-19(20)13-21)37(35,36)30-16-24(26(33)34)31(25(32)17-30)15-18-7-11-29(12-8-18)22-5-9-28-10-6-22/h1-6,9-10,13-14,18,24H,7-8,11-12,15-17H2,(H,33,34)/t24-/m0/s1