tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-3-[(4-methoxycarbonylpiperidin-4-yl)methyl]-2-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-3-[(4-methoxycarbonylpiperidin-4-yl)methyl]-2-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2-naphthyl)sulfonyl]-3-[(4-methoxycarbonyl-4-piperidyl)methyl]-2-oxo-piperazine-1-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-3-[(4-methoxycarbonyl-4-piperidinyl)methyl]-2-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonyl-3-[(4-methoxycarbonylpiperidin-4-yl)methyl]-2-oxopiperazine-1-carboxylate Traditional Name: 3-[(4-carbomethoxy-4-piperidyl)methyl]-4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C27H34ClN3O7S MolecularWeight: 580.09276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1=O)CC2(CCNCC2)C(=O)OC)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1=O)CC2(CCNCC2)C(=O)OC)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C27H34ClN3O7S/c1-26(2,3)38-25(34)30-13-14-31(22(23(30)32)17-27(24(33)37-4)9-11-29-12-10-27)39(35,36)21-8-6-18-15-20(28)7-5-19(18)16-21/h5-8,15-16,22,29H,9-14,17H2,1-4H3