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

Systemtic Name: tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(methylsulfonylamino)-2-oxidanylidene-3-(piperidin-4-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2-naphthyl)sulfonyl]-4-(methanesulfonamido)-2-oxo-3-(4-piperidylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-4-(methanesulfonamido)-2-oxo-3-(4-piperidinylmethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonyl-4-(methanesulfonamido)-2-oxo-3-(piperidin-4-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-4-(methanesulfonamido)-3-(4-piperidylmethyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C26H36ClN4O7S2+ MolecularWeight: 616.16964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[N+](C(C1=O)CC2CCNCC2)(NS(=O)(=O)C)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[N+](C(C1=O)CC2CCNCC2)(NS(=O)(=O)C)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C26H36ClN4O7S2/c1-26(2,3)38-25(33)30-13-14-31(29-39(4,34)35,23(24(30)32)15-18-9-11-28-12-10-18)40(36,37)22-8-6-19-16-21(27)7-5-20(19)17-22/h5-8,16-18,23,28-29H,9-15H2,1-4H3/q+1