propan-2-yl 3-(4-methylphenyl)sulfonyl-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: propan-2-yl 3-(4-methylphenyl)sulfonyl-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 3-(p-tolylsulfonyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-(4-methylphenyl)sulfonyl-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-methylphenyl)sulfonyl-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 3-tosyl-2,5a,6,10b-tetrahydro-1H-azepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3C(C(=C2)C(=O)OC(C)C)NC4=CC=CC=C34

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3C(C(=C2)C(=O)OC(C)C)NC4=CC=CC=C34

InChI

InChI=1S/C23H26N2O4S/c1-15(2)29-23(26)20-14-25(30(27,28)17-10-8-16(3)9-11-17)13-12-19-18-6-4-5-7-21(18)24-22(19)20/h4-11,14-15,19,22,24H,12-13H2,1-3H3