tert-butyl 4-[4-(2-methoxycarbonylprop-2-enylamino)-2-methyl-1-(4-methylphenyl)sulfonyl-benzimidazol-5-yl]piperidine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=C2C=CC(=C3NCC(=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(=C3NCC(=C)C(=O)OC)C4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

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