4-[3-(4-methylphenyl)sulfonyl-5,10-dihydro-4H-pyrrolo[2,3-c][1]benzazepin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(4-methylphenyl)sulfonyl-5,10-dihydro-4H-pyrrolo[2,3-c][1]benzazepin-4-yl]benzenecarbonitrile Openeye Name: 4-[3-(p-tolylsulfonyl)-5,10-dihydro-4H-pyrrolo[2,3-c][1]benzazepin-4-yl]benzonitrile CAS Name: 4-[3-(4-methylphenyl)sulfonyl-5,10-dihydro-4H-pyrrolo[2,3-c][1]benzazepin-4-yl]benzonitrile IUPAC Name: 4-[3-(4-methylphenyl)sulfonyl-5,10-dihydro-4H-pyrrolo[2,3-c][1]benzazepin-4-yl]benzonitrile Traditional Name: 4-(3-tosyl-5,10-dihydro-4H-pyrrolo[2,3-c][1]benzazepin-4-yl)benzonitrile Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C(NC4=CC=CC=C4C3)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C(NC4=CC=CC=C4C3)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H21N3O2S/c1-18-6-12-23(13-7-18)32(30,31)29-15-14-22-16-21-4-2-3-5-24(21)28-25(26(22)29)20-10-8-19(17-27)9-11-20/h2-15,25,28H,16H2,1H3