tert-butyl 4-[[4-(4-ethenylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-4-(ethoxycarbonylamino)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(4-ethenylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-4-(ethoxycarbonylamino)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(ethoxycarbonylamino)-4-[[2-oxo-4-(4-vinylphenyl)sulfonyl-piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(4-ethenylphenyl)sulfonyl-2-oxo-1-piperazinyl]methyl]-4-(ethoxycarbonylamino)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(4-ethenylphenyl)sulfonyl-2-oxopiperazin-1-yl]methyl]-4-(ethoxycarbonylamino)piperidine-1-carboxylate Traditional Name: 4-(carbethoxyamino)-4-[[2-keto-4-(4-vinylphenyl)sulfonyl-piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H38N4O7S MolecularWeight: 550.66752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(CCN(CC1)C(=O)OC(C)(C)C)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(C=C3)C=C

Isomeric SMILES

CCOC(=O)NC1(CCN(CC1)C(=O)OC(C)(C)C)CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(C=C3)C=C

InChI

InChI=1S/C26H38N4O7S/c1-6-20-8-10-21(11-9-20)38(34,35)30-17-16-29(22(31)18-30)19-26(27-23(32)36-7-2)12-14-28(15-13-26)24(33)37-25(3,4)5/h6,8-11H,1,7,12-19H2,2-5H3,(H,27,32)