N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-(cyclopropanecarbonyl)isonipecotamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H31N3O4S/c26-21(17-10-14-24(15-11-17)22(27)18-8-9-18)23-19-6-5-7-20(16-19)30(28,29)25-12-3-1-2-4-13-25/h5-7,16-18H,1-4,8-15H2,(H,23,26)