N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-1-(4-methoxy-2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-1-(4-methoxypyrimidin-2-yl)isonipecotamide Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=N3)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=N3)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H31N5O5S/c1-3-33-19-7-6-18(16-20(19)34(30,31)28-12-4-5-13-28)25-22(29)17-9-14-27(15-10-17)23-24-11-8-21(26-23)32-2/h6-8,11,16-17H,3-5,9-10,12-15H2,1-2H3,(H,25,29)