3-(1-methylsulfonylpiperidin-4-yl)-1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one

Systemtic Name: 3-(1-methylsulfonylpiperidin-4-yl)-1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one Openeye Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-methylsulfonyl-4-piperidyl)propan-1-one CAS Name: 3-(1-methylsulfonyl-4-piperidinyl)-1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1-propanone IUPAC Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-methylsulfonylpiperidin-4-yl)propan-1-one Traditional Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-mesyl-4-piperidyl)propan-1-one Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)CCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)CCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C26H34N2O3S/c1-32(30,31)28-17-11-21(12-18-28)7-10-26(29)25-9-8-23-13-15-27(16-14-24(23)19-25)20-22-5-3-2-4-6-22/h2-6,8-9,19,21H,7,10-18,20H2,1H3