ditert-butyl 4-[(4-methylphenyl)sulfonylamino]-1-oxidanylidene-4,5-dihydro-3H-azepino[3,4-b]indole-2,10-dicarboxylate

Systemtic Name: ditert-butyl 4-[(4-methylphenyl)sulfonylamino]-1-oxidanylidene-4,5-dihydro-3H-azepino[3,4-b]indole-2,10-dicarboxylate Openeye Name: ditert-butyl 1-oxo-4-(p-tolylsulfonylamino)-4,5-dihydro-3H-azepino[3,4-b]indole-2,10-dicarboxylate CAS Name: 4-[(4-methylphenyl)sulfonylamino]-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-2,10-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[(4-methylphenyl)sulfonylamino]-1-oxo-4,5-dihydro-3H-azepino[3,4-b]indole-2,10-dicarboxylate Traditional Name: 1-keto-4-(tosylamino)-4,5-dihydro-3H-azepin[3,4-b]indole-2,10-dicarboxylic acid ditert-butyl ester Formula: C29H35N3O7S MolecularWeight: 569.6691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CC3=C(C(=O)N(C2)C(=O)OC(C)(C)C)N(C4=CC=CC=C34)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2CC3=C(C(=O)N(C2)C(=O)OC(C)(C)C)N(C4=CC=CC=C34)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H35N3O7S/c1-18-12-14-20(15-13-18)40(36,37)30-19-16-22-21-10-8-9-11-23(21)32(27(35)39-29(5,6)7)24(22)25(33)31(17-19)26(34)38-28(2,3)4/h8-15,19,30H,16-17H2,1-7H3