(3S)-3-butan-2-yl-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: (3S)-3-butan-2-yl-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (3S)-4-(p-tolylsulfonyl)-3-sec-butyl-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (3S)-3-butan-2-yl-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (3S)-3-butan-2-yl-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (3S)-3-sec-butyl-4-tosyl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1COC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)[C@H]1COC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H25NO3S/c1-4-16(3)19-14-24-20-8-6-5-7-17(20)13-21(19)25(22,23)18-11-9-15(2)10-12-18/h5-12,16,19H,4,13-14H2,1-3H3/t16?,19-/m1/s1