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

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-oxidanylidene-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazine-2-carboxylic acid Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-6-oxo-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazine-2-carboxylic acid CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[(1-pyridin-4-yl-4-piperidinyl)amino]-2-piperazinecarboxylic acid IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-6-oxo-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazine-2-carboxylic acid Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-[[1-(4-pyridyl)-4-piperidyl]amino]piperazine-2-carboxylic acid Formula: C25H26ClN5O5S MolecularWeight: 544.02244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NN2C(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(CCC1NN2C(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/C25H26ClN5O5S/c26-19-3-1-18-14-22(4-2-17(18)13-19)37(35,36)30-15-23(25(33)34)31(24(32)16-30)28-20-7-11-29(12-8-20)21-5-9-27-10-6-21/h1-6,9-10,13-14,20,23,28H,7-8,11-12,15-16H2,(H,33,34)