1-[(3S)-3-(4-methoxy-2-methyl-phenyl)carbonylpiperidin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[(3S)-3-(4-methoxy-2-methyl-phenyl)carbonylpiperidin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[(3S)-3-(4-methoxy-2-methyl-benzoyl)-1-piperidyl]-4-(2-thienyl)butan-1-one CAS Name: 1-[(3S)-3-[(4-methoxy-2-methylphenyl)-oxomethyl]-1-piperidinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[(3S)-3-(4-methoxy-2-methylbenzoyl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[(3S)-3-(4-methoxy-2-methyl-benzoyl)piperidino]-4-(2-thienyl)butan-1-one Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)C(=O)CCCC3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)[C@H]2CCCN(C2)C(=O)CCCC3=CC=CS3

InChI

InChI=1S/C22H27NO3S/c1-16-14-18(26-2)10-11-20(16)22(25)17-6-4-12-23(15-17)21(24)9-3-7-19-8-5-13-27-19/h5,8,10-11,13-14,17H,3-4,6-7,9,12,15H2,1-2H3/t17-/m0/s1