tert-butyl 4-[4-[(1-methoxy-1-oxidanylidene-but-3-en-2-yl)amino]-2-methyl-1-(4-methylphenyl)sulfonyl-benzimidazol-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(1-methoxy-1-oxidanylidene-but-3-en-2-yl)amino]-2-methyl-1-(4-methylphenyl)sulfonyl-benzimidazol-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1-methoxycarbonylallylamino)-2-methyl-1-(p-tolylsulfonyl)benzimidazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(1-methoxy-1-oxobut-3-en-2-yl)amino]-2-methyl-1-(4-methylphenyl)sulfonyl-5-benzimidazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(1-methoxy-1-oxobut-3-en-2-yl)amino]-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(1-carbomethoxyallylamino)-2-methyl-1-tosyl-benzimidazol-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H38N4O6S MolecularWeight: 582.71092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=C2C=CC(=C3NC(C=C)C(=O)OC)C4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=C2C=CC(=C3NC(C=C)C(=O)OC)C4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C30H38N4O6S/c1-8-24(28(35)39-7)32-26-23(21-15-17-33(18-16-21)29(36)40-30(4,5)6)13-14-25-27(26)31-20(3)34(25)41(37,38)22-11-9-19(2)10-12-22/h8-14,21,24,32H,1,15-18H2,2-7H3