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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-fluorophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-fluorobenzoyl)isonipecotamide Formula: C25H30FN3O4S MolecularWeight: 487.586803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H30FN3O4S/c26-21-7-5-6-20(18-21)25(31)28-16-12-19(13-17-28)24(30)27-22-8-10-23(11-9-22)34(32,33)29-14-3-1-2-4-15-29/h5-11,18-19H,1-4,12-17H2,(H,27,30)