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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(2-thenoyl)isonipecotamide Formula: C24H31N3O4S2 MolecularWeight: 489.65064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O4S2/c1-18-8-9-20(17-22(18)33(30,31)27-12-4-2-3-5-13-27)25-23(28)19-10-14-26(15-11-19)24(29)21-7-6-16-32-21/h6-9,16-17,19H,2-5,10-15H2,1H3,(H,25,28)