N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,5-dimethyl-thiophene-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,5-dimethyl-thiophene-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2,5-dimethyl-3-thiophenecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,5-dimethylthiophene-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,5-dimethyl-thiophene-3-carboxamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(SC(=C2)C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(SC(=C2)C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H26N2O3S2/c1-14-8-9-17(21-20(23)18-12-15(2)26-16(18)3)13-19(14)27(24,25)22-10-6-4-5-7-11-22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,21,23)