7-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 7-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 7-[4-(m-tolyl)piperazin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 7-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 7-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 7-[4-(m-tolyl)piperazino]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

InChI

InChI=1S/C21H25N3O3S/c1-16-4-2-6-18(14-16)23-10-12-24(13-11-23)28(26,27)19-8-9-20-17(15-19)5-3-7-21(25)22-20/h2,4,6,8-9,14-15H,3,5,7,10-13H2,1H3,(H,22,25)