N-[2-(azepan-1-ylcarbonyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H29N3O4S2/c27-22(18-9-7-15-26(17-18)32(29,30)21-12-8-16-31-21)24-20-11-4-3-10-19(20)23(28)25-13-5-1-2-6-14-25/h3-4,8,10-12,16,18H,1-2,5-7,9,13-15,17H2,(H,24,27)