(4-methoxy-2-methyl-phenyl)-[(3S)-1-(3-methylphenyl)sulfonylpiperidin-3-yl]methanone

Systemtic Name: (4-methoxy-2-methyl-phenyl)-[(3S)-1-(3-methylphenyl)sulfonylpiperidin-3-yl]methanone Openeye Name: (4-methoxy-2-methyl-phenyl)-[(3S)-1-(m-tolylsulfonyl)-3-piperidyl]methanone CAS Name: (4-methoxy-2-methylphenyl)-[(3S)-1-(3-methylphenyl)sulfonyl-3-piperidinyl]methanone IUPAC Name: (4-methoxy-2-methylphenyl)-[(3S)-1-(3-methylphenyl)sulfonylpiperidin-3-yl]methanone Traditional Name: (4-methoxy-2-methyl-phenyl)-[(3S)-1-(m-tolylsulfonyl)-3-piperidyl]methanone Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)C3=C(C=C(C=C3)OC)C

InChI

InChI=1S/C21H25NO4S/c1-15-6-4-8-19(12-15)27(24,25)22-11-5-7-17(14-22)21(23)20-10-9-18(26-3)13-16(20)2/h4,6,8-10,12-13,17H,5,7,11,14H2,1-3H3/t17-/m0/s1