5-(4-chloranylphenoxy)-3-(4-methylphenyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 5-(4-chloranylphenoxy)-3-(4-methylphenyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 5-(4-chlorophenoxy)-3-(p-tolylsulfonyl)-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 5-(4-chlorophenoxy)-3-(4-methylphenyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 5-(4-chlorophenoxy)-3-(4-methylphenyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 5-(4-chlorophenoxy)-3-tosyl-1,2,4,5-tetrahydro-3-benzazepine Formula: C23H22ClNO3S MolecularWeight: 427.94368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C(C2)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C(C2)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClNO3S/c1-17-6-12-21(13-7-17)29(26,27)25-15-14-18-4-2-3-5-22(18)23(16-25)28-20-10-8-19(24)9-11-20/h2-13,23H,14-16H2,1H3