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

Systemtic Name: (3S)-3-(indol-1-ylmethyl)-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (3S)-3-(indol-1-ylmethyl)-4-(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (3S)-3-(1-indolylmethyl)-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (3S)-3-(indol-1-ylmethyl)-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (3S)-3-(indol-1-ylmethyl)-4-tosyl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3OCC2CN4C=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3OC[C@@H]2CN4C=CC5=CC=CC=C54

InChI

InChI=1S/C25H24N2O3S/c1-19-10-12-23(13-11-19)31(28,29)27-16-21-7-3-5-9-25(21)30-18-22(27)17-26-15-14-20-6-2-4-8-24(20)26/h2-15,22H,16-18H2,1H3/t22-/m0/s1