N-[4-(azepan-1-ylsulfonyl)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-thenoyl)nipecotamide Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S2/c27-22(18-7-5-13-25(17-18)23(28)21-8-6-16-31-21)24-19-9-11-20(12-10-19)32(29,30)26-14-3-1-2-4-15-26/h6,8-12,16,18H,1-5,7,13-15,17H2,(H,24,27)