(3S)-3-(1H-indol-3-ylmethyl)-7-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: (3S)-3-(1H-indol-3-ylmethyl)-7-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (3S)-3-(1H-indol-3-ylmethyl)-7-methoxy-4-(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (3S)-3-(1H-indol-3-ylmethyl)-7-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (3S)-3-(1H-indol-3-ylmethyl)-7-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (3S)-3-(1H-indol-3-ylmethyl)-7-methoxy-4-tosyl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)OC)OCC2CC4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)OC)OC[C@@H]2CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H26N2O4S/c1-18-7-10-23(11-8-18)33(29,30)28-16-20-14-22(31-2)9-12-26(20)32-17-21(28)13-19-15-27-25-6-4-3-5-24(19)25/h3-12,14-15,21,27H,13,16-17H2,1-2H3/t21-/m0/s1