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

Systemtic Name: (3S)-7-methoxy-4-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (3S)-3-isobutyl-7-methoxy-4-(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (3S)-7-methoxy-4-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (3S)-7-methoxy-4-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (3S)-3-isobutyl-7-methoxy-4-tosyl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)OC)OCC2CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S/c1-15(2)11-18-14-26-21-10-7-19(25-4)12-17(21)13-22(18)27(23,24)20-8-5-16(3)6-9-20/h5-10,12,15,18H,11,13-14H2,1-4H3/t18-/m0/s1