1-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone

Systemtic Name: 1-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone Openeye Name: 1-[4-(2,4-dimethylbenzoyl)-1-piperidyl]-2-(3-phenylpropylsulfonyl)ethanone CAS Name: 1-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]-2-(3-phenylpropylsulfonyl)ethanone IUPAC Name: 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone Traditional Name: 1-[4-(2,4-dimethylbenzoyl)piperidino]-2-(3-phenylpropylsulfonyl)ethanone Formula: C25H31NO4S MolecularWeight: 441.58294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)CS(=O)(=O)CCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)CS(=O)(=O)CCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H31NO4S/c1-19-10-11-23(20(2)17-19)25(28)22-12-14-26(15-13-22)24(27)18-31(29,30)16-6-9-21-7-4-3-5-8-21/h3-5,7-8,10-11,17,22H,6,9,12-16,18H2,1-2H3