(phenylmethyl) 4-[1-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-methoxy-3-oxidanylidene-propyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[1-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-methoxy-3-oxidanylidene-propyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[1-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]-3-methoxy-3-oxo-propyl]piperidine-1-carboxylate CAS Name: 4-[1-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]-3-methoxy-3-oxopropyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-3-methoxy-3-oxopropyl]piperidine-1-carboxylate Traditional Name: 4-[1-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]-3-keto-3-methoxy-propyl]piperidine-1-carboxylic acid benzyl ester Formula: C31H34ClN3O7S MolecularWeight: 628.13556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1CCN(CC1)C(=O)OCC2=CC=CC=C2)N3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

COC(=O)CC(C1CCN(CC1)C(=O)OCC2=CC=CC=C2)N3CCN(CC3=O)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C31H34ClN3O7S/c1-41-30(37)19-28(23-11-13-33(14-12-23)31(38)42-21-22-5-3-2-4-6-22)35-16-15-34(20-29(35)36)43(39,40)27-10-8-24-17-26(32)9-7-25(24)18-27/h2-10,17-18,23,28H,11-16,19-21H2,1H3