9-methoxy-4-(4-methylphenyl)sulfonyl-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 9-methoxy-4-(4-methylphenyl)sulfonyl-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-4-(p-tolylsulfonyl)-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-4-(4-methylphenyl)sulfonyl-7-(3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-4-(4-methylphenyl)sulfonyl-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-7-(3-pyridyl)-4-tosyl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=CN=CC=C4

InChI

InChI=1S/C22H22N2O4S/c1-16-5-7-20(8-6-16)29(25,26)24-10-11-28-22-19(15-24)12-18(13-21(22)27-2)17-4-3-9-23-14-17/h3-9,12-14H,10-11,15H2,1-2H3