(3S,5S,6E)-5-methoxy-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-6-propylidene-piperidin-2-one

Systemtic Name: (3S,5S,6E)-5-methoxy-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-6-propylidene-piperidin-2-one Openeye Name: (3S,5S,6E)-1-benzyl-5-methoxy-6-propylidene-3-(p-tolylsulfonyl)piperidin-2-one CAS Name: (3S,5S,6E)-5-methoxy-3-(4-methylphenyl)sulfonyl-1-(phenylmethyl)-6-propylidene-2-piperidinone IUPAC Name: (3S,5S,6E)-1-benzyl-5-methoxy-3-(4-methylphenyl)sulfonyl-6-propylidenepiperidin-2-one Traditional Name: (3S,5S,6E)-1-benzyl-5-methoxy-6-propylidene-3-tosyl-2-piperidone Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(CC(C(=O)N1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CC/C=C/1\[C@H](C[C@@H](C(=O)N1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C23H27NO4S/c1-4-8-20-21(28-3)15-22(29(26,27)19-13-11-17(2)12-14-19)23(25)24(20)16-18-9-6-5-7-10-18/h5-14,21-22H,4,15-16H2,1-3H3/b20-8+/t21-,22-/m0/s1