N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-pyrrole-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-[(3-methyl-1-piperidyl)sulfonyl]pyrrole-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-pyrrolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide Traditional Name: N-homoveratryl-1-methyl-4-(3-methylpiperidino)sulfonyl-pyrrole-2-carboxamide Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CN(C(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CN(C(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H31N3O5S/c1-16-6-5-11-25(14-16)31(27,28)18-13-19(24(2)15-18)22(26)23-10-9-17-7-8-20(29-3)21(12-17)30-4/h7-8,12-13,15-16H,5-6,9-11,14H2,1-4H3,(H,23,26)