2-(4-ethylsulfonylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one

Systemtic Name: 2-(4-ethylsulfonylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Openeye Name: 2-(4-ethylsulfonylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one CAS Name: 2-(4-ethylsulfonyl-1-piperazinyl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1-butanone IUPAC Name: 2-(4-ethylsulfonylpiperazin-1-yl)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Traditional Name: 2-(4-esylpiperazino)-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC2=C(CCNCC2)C=C1)N3CCN(CC3)S(=O)(=O)CC

Isomeric SMILES

CCC(C(=O)C1=CC2=C(CCNCC2)C=C1)N3CCN(CC3)S(=O)(=O)CC

InChI

InChI=1S/C20H31N3O3S/c1-3-19(22-11-13-23(14-12-22)27(25,26)4-2)20(24)18-6-5-16-7-9-21-10-8-17(16)15-18/h5-6,15,19,21H,3-4,7-14H2,1-2H3