tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(ethoxycarbonylamino)-2-oxidanylidene-3-piperidin-4-yl-piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(ethoxycarbonylamino)-2-oxidanylidene-3-piperidin-4-yl-piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2-naphthyl)sulfonyl]-4-(ethoxycarbonylamino)-2-oxo-3-(4-piperidyl)piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-(ethoxycarbonylamino)-2-oxo-3-(4-piperidinyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonyl-4-(ethoxycarbonylamino)-2-oxo-3-piperidin-4-ylpiperazin-4-ium-1-carboxylate Traditional Name: 4-(carbethoxyamino)-4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-3-(4-piperidyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C27H36ClN4O7S+ MolecularWeight: 596.11534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N[N+]1(CCN(C(=O)C1C2CCNCC2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)N[N+]1(CCN(C(=O)C1C2CCNCC2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C27H35ClN4O7S/c1-5-38-25(34)30-32(40(36,37)22-9-7-19-16-21(28)8-6-20(19)17-22)15-14-31(26(35)39-27(2,3)4)24(33)23(32)18-10-12-29-13-11-18/h6-9,16-18,23,29H,5,10-15H2,1-4H3/p+1