7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-4-phenylazanyl-3,4-dihydro-2H-1-benzazepin-5-one

Systemtic Name: 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-4-phenylazanyl-3,4-dihydro-2H-1-benzazepin-5-one Openeye Name: 4-anilino-7,8-dimethoxy-1-(p-tolylsulfonyl)-3,4-dihydro-2H-1-benzazepin-5-one CAS Name: 4-anilino-7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one IUPAC Name: 4-anilino-7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one Traditional Name: 4-anilino-7,8-dimethoxy-1-tosyl-3,4-dihydro-2H-1-benzazepin-5-one Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(=O)C3=CC(=C(C=C32)OC)OC)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(=O)C3=CC(=C(C=C32)OC)OC)NC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S/c1-17-9-11-19(12-10-17)33(29,30)27-14-13-21(26-18-7-5-4-6-8-18)25(28)20-15-23(31-2)24(32-3)16-22(20)27/h4-12,15-16,21,26H,13-14H2,1-3H3