N-[(4-aminocarbonylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(4-carbamoylphenyl)methyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-carbamoylbenzyl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O4S2/c19-17(22)14-5-3-13(4-6-14)12-20-18(23)15-7-9-21(10-8-15)27(24,25)16-2-1-11-26-16/h1-6,11,15H,7-10,12H2,(H2,19,22)(H,20,23)