6-methyl-8-phenyl-1-(phenylsulfonyl)-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine

Systemtic Name: 6-methyl-8-phenyl-1-(phenylsulfonyl)-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine Openeye Name: 1-(benzenesulfonyl)-6-methyl-8-phenyl-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine CAS Name: 1-(benzenesulfonyl)-6-methyl-8-phenyl-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine IUPAC Name: 1-(benzenesulfonyl)-6-methyl-8-phenyl-4,5,7,8-tetrahydropyrrolo[2,3-d]azepine Traditional Name: 1-besyl-6-methyl-8-phenyl-4,5,7,8-tetrahydropyrrol[2,3-d]azepine Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(C1)C3=CC=CC=C3)N(C=C2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCC2=C(C(C1)C3=CC=CC=C3)N(C=C2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S/c1-22-14-12-18-13-15-23(26(24,25)19-10-6-3-7-11-19)21(18)20(16-22)17-8-4-2-5-9-17/h2-11,13,15,20H,12,14,16H2,1H3