(6-chloranylnaphthalen-2-yl)sulfonyl 1-[[2-(hydroxymethyl)pyridin-4-yl]-piperidin-4-yl-amino]-6-oxidanylidene-piperazine-2-carboxylate

Systemtic Name: (6-chloranylnaphthalen-2-yl)sulfonyl 1-[[2-(hydroxymethyl)pyridin-4-yl]-piperidin-4-yl-amino]-6-oxidanylidene-piperazine-2-carboxylate Openeye Name: (6-chloro-2-naphthyl)sulfonyl 1-[[2-(hydroxymethyl)-4-pyridyl]-(4-piperidyl)amino]-6-oxo-piperazine-2-carboxylate CAS Name: 1-[[2-(hydroxymethyl)-4-pyridinyl]-(4-piperidinyl)amino]-6-oxo-2-piperazinecarboxylic acid (6-chloro-2-naphthalenyl)sulfonyl ester IUPAC Name: (6-chloronaphthalen-2-yl)sulfonyl 1-[[2-(hydroxymethyl)pyridin-4-yl]-piperidin-4-ylamino]-6-oxopiperazine-2-carboxylate Traditional Name: 6-keto-1-[(2-methylol-4-pyridyl)-(4-piperidyl)amino]piperazine-2-carboxylic acid (6-chloro-2-naphthyl)sulfonyl ester Formula: C26H28ClN5O6S MolecularWeight: 574.04842

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(C2=CC(=NC=C2)CO)N3C(CNCC3=O)C(=O)OS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

C1CNCCC1N(C2=CC(=NC=C2)CO)N3C(CNCC3=O)C(=O)OS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C26H28ClN5O6S/c27-19-3-1-18-12-23(4-2-17(18)11-19)39(36,37)38-26(35)24-14-29-15-25(34)32(24)31(21-5-8-28-9-6-21)22-7-10-30-20(13-22)16-33/h1-4,7,10-13,21,24,28-29,33H,5-6,8-9,14-16H2