N-methyl-1-(4-methylsulfonyl-2-pyrrol-1-yl-phenyl)piperidine-4-carboxamide

Systemtic Name: N-methyl-1-(4-methylsulfonyl-2-pyrrol-1-yl-phenyl)piperidine-4-carboxamide Openeye Name: N-methyl-1-(4-methylsulfonyl-2-pyrrol-1-yl-phenyl)piperidine-4-carboxamide CAS Name: N-methyl-1-[4-methylsulfonyl-2-(1-pyrrolyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-methyl-1-(4-methylsulfonyl-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-mesyl-2-pyrrol-1-yl-phenyl)-N-methyl-isonipecotamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)N3C=CC=C3

Isomeric SMILES

CNC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)N3C=CC=C3

InChI

InChI=1S/C18H23N3O3S/c1-19-18(22)14-7-11-21(12-8-14)16-6-5-15(25(2,23)24)13-17(16)20-9-3-4-10-20/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,19,22)