N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

Systemtic Name: N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Openeye Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide CAS Name: N-(2-oxolanylmethyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(oxolan-2-ylmethyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-pyrrolidinosulfonylphenyl)-N-(tetrahydrofurfuryl)isonipecotamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCC(CC3)C(=O)NCC4CCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCC(CC3)C(=O)NCC4CCCO4

InChI

InChI=1S/C21H31N3O4S/c25-21(22-16-19-4-3-15-28-19)17-9-13-23(14-10-17)18-5-7-20(8-6-18)29(26,27)24-11-1-2-12-24/h5-8,17,19H,1-4,9-16H2,(H,22,25)