N-[1-(3-acetamidophenyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(3-acetamidophenyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[1-(3-acetamidophenyl)ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[1-(3-acetamidophenyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[1-(3-acetamidophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[1-(3-acetamidophenyl)ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=O)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H25N3O4S2/c1-14(16-6-3-8-18(12-16)22-15(2)24)21-20(25)17-7-4-10-23(13-17)29(26,27)19-9-5-11-28-19/h3,5-6,8-9,11-12,14,17H,4,7,10,13H2,1-2H3,(H,21,25)(H,22,24)