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

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


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