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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-piperonyl-isonipecotamide Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H26N2O6S/c1-15-11-18(4-6-19(15)28-2)31(26,27)24-9-7-17(8-10-24)22(25)23-13-16-3-5-20-21(12-16)30-14-29-20/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,23,25)