N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-(3-methyl-4-pyrrolidino-phenyl)isonipecotamide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCCC3

InChI

InChI=1S/C18H27N3O3S/c1-14-13-16(5-6-17(14)20-9-3-4-10-20)19-18(22)15-7-11-21(12-8-15)25(2,23)24/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,19,22)