methyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(1-phenylmethoxycarbonylpiperidin-4-yl)carbonyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(1-phenylmethoxycarbonylpiperidin-4-yl)carbonyl-piperazine-2-carboxylate Openeye Name: methyl 1-(1-benzyloxycarbonylpiperidine-4-carbonyl)-4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-2-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[oxo-(1-phenylmethoxycarbonyl-4-piperidinyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-2-carboxylate Traditional Name: 1-(1-carbobenzoxyisonipecotoyl)-4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-2-carboxylic acid methyl ester Formula: C30H32ClN3O7S MolecularWeight: 614.10898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2CCN(CC2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

COC(=O)C1CN(CCN1C(=O)C2CCN(CC2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C30H32ClN3O7S/c1-40-29(36)27-19-33(42(38,39)26-10-8-23-17-25(31)9-7-24(23)18-26)15-16-34(27)28(35)22-11-13-32(14-12-22)30(37)41-20-21-5-3-2-4-6-21/h2-10,17-18,22,27H,11-16,19-20H2,1H3