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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)C2CCCN(C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c1-16-13-19(26-2)10-11-20(16)21(23)18-9-6-12-22(14-18)27(24,25)15-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3