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

Systemtic Name: tert-butyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-4-(phenylmethoxycarbonylamino)-3-(piperidin-4-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-(benzyloxycarbonylamino)-4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-3-(4-piperidylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-4-(phenylmethoxycarbonylamino)-3-(4-piperidinylmethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxo-4-(phenylmethoxycarbonylamino)-3-(piperidin-4-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(benzyloxycarbonylamino)-4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-3-(4-piperidylmethyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C33H40ClN4O7S+ MolecularWeight: 672.2113

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[N+](C(C1=O)CC2CCNCC2)(NC(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[N+](C(C1=O)CC2CCNCC2)(NC(=O)OCC3=CC=CC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C33H39ClN4O7S/c1-33(2,3)45-32(41)37-17-18-38(29(30(37)39)19-23-13-15-35-16-14-23,36-31(40)44-22-24-7-5-4-6-8-24)46(42,43)28-12-10-25-20-27(34)11-9-26(25)21-28/h4-12,20-21,23,29,35H,13-19,22H2,1-3H3/p+1