(3R)-N-(1,3-benzodioxol-5-yl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-(1,3-benzodioxol-5-yl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-(1,3-benzodioxol-5-yl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-(1,3-benzodioxol-5-yl)-1-(4-methoxy-3-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-(1,3-benzodioxol-5-yl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-(1,3-benzodioxol-5-yl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-nipecotamide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H24N2O6S/c1-14-10-17(6-8-18(14)27-2)30(25,26)23-9-3-4-15(12-23)21(24)22-16-5-7-19-20(11-16)29-13-28-19/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3,(H,22,24)/t15-/m1/s1