[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

Systemtic Name: [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone Openeye Name: [1-(p-tolylsulfonyl)-4-piperidyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone CAS Name: [1-(4-methylphenyl)sulfonyl-4-piperidinyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone IUPAC Name: [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone Traditional Name: 2,3,4,5-tetrahydro-1-benzazepin-1-yl-(1-tosyl-4-piperidyl)methanone Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCC4=CC=CC=C43

InChI

InChI=1S/C23H28N2O3S/c1-18-9-11-21(12-10-18)29(27,28)24-16-13-20(14-17-24)23(26)25-15-5-4-7-19-6-2-3-8-22(19)25/h2-3,6,8-12,20H,4-5,7,13-17H2,1H3