N-[2-(1-methylpyrrol-2-yl)-2-morpholin-4-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1-methylpyrrol-2-yl)-2-morpholin-4-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-methyl-2-pyrrolyl)-2-(4-morpholinyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[2-(1-methylpyrrol-2-yl)-2-morpholino-ethyl]isonipecotamide Formula: C18H30N4O4S MolecularWeight: 398.5202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCOCC3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCOCC3

InChI

InChI=1S/C18H30N4O4S/c1-20-7-3-4-16(20)17(21-10-12-26-13-11-21)14-19-18(23)15-5-8-22(9-6-15)27(2,24)25/h3-4,7,15,17H,5-6,8-14H2,1-2H3,(H,19,23)