N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,4-dimethylbenzyl)-N-methyl-1-(1-methylpyrrol-3-yl)sulfonyl-isonipecotamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C)C

InChI

InChI=1S/C21H29N3O3S/c1-16-5-6-19(17(2)13-16)14-23(4)21(25)18-7-11-24(12-8-18)28(26,27)20-9-10-22(3)15-20/h5-6,9-10,13,15,18H,7-8,11-12,14H2,1-4H3