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

Systemtic Name: tert-butyl 4-(4-ethenylphenyl)sulfonyl-4-(ethoxycarbonylamino)-3-methyl-2-oxidanylidene-3-piperidin-4-yl-piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-(ethoxycarbonylamino)-3-methyl-2-oxo-3-(4-piperidyl)-4-(4-vinylphenyl)sulfonyl-piperazin-4-ium-1-carboxylate CAS Name: 4-(4-ethenylphenyl)sulfonyl-4-(ethoxycarbonylamino)-3-methyl-2-oxo-3-(4-piperidinyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-ethenylphenyl)sulfonyl-4-(ethoxycarbonylamino)-3-methyl-2-oxo-3-piperidin-4-ylpiperazin-4-ium-1-carboxylate Traditional Name: 4-(carbethoxyamino)-2-keto-3-methyl-3-(4-piperidyl)-4-(4-vinylphenyl)sulfonyl-piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C26H39N4O7S+ MolecularWeight: 551.67546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N[N+]1(CCN(C(=O)C1(C)C2CCNCC2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)C=C

Isomeric SMILES

CCOC(=O)N[N+]1(CCN(C(=O)C1(C)C2CCNCC2)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)C=C

InChI

InChI=1S/C26H38N4O7S/c1-7-19-9-11-21(12-10-19)38(34,35)30(28-23(32)36-8-2)18-17-29(24(33)37-25(3,4)5)22(31)26(30,6)20-13-15-27-16-14-20/h7,9-12,20,27H,1,8,13-18H2,2-6H3/p+1