tert-butyl (4Z)-6-methyl-7-(phenylsulfonyl)-3,6-dihydro-1H-azocino[4,3-b]indole-2-carboxylate

Systemtic Name: tert-butyl (4Z)-6-methyl-7-(phenylsulfonyl)-3,6-dihydro-1H-azocino[4,3-b]indole-2-carboxylate Openeye Name: tert-butyl (4Z)-7-(benzenesulfonyl)-6-methyl-3,6-dihydro-1H-azocino[4,3-b]indole-2-carboxylate CAS Name: (4Z)-7-(benzenesulfonyl)-6-methyl-3,6-dihydro-1H-azocino[4,3-b]indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4Z)-7-(benzenesulfonyl)-6-methyl-3,6-dihydro-1H-azocino[4,3-b]indole-2-carboxylate Traditional Name: (4Z)-7-besyl-6-methyl-3,6-dihydro-1H-azocin[4,3-b]indole-2-carboxylic acid tert-butyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCN(CC2=C1N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1/C=C\CN(CC2=C1N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H28N2O4S/c1-18-11-10-16-26(24(28)31-25(2,3)4)17-21-20-14-8-9-15-22(20)27(23(18)21)32(29,30)19-12-6-5-7-13-19/h5-15,18H,16-17H2,1-4H3/b11-10-