N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-ethyl-4-methyl-thiophene-2-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-ethyl-4-methyl-thiophene-2-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-ethyl-4-methyl-thiophene-2-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-5-ethyl-4-methyl-2-thiophenecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-ethyl-4-methylthiophene-2-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-ethyl-4-methyl-thiophene-2-carboxamide Formula: C21H28N2O4S2 MolecularWeight: 436.58802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

InChI

InChI=1S/C21H28N2O4S2/c1-4-19-15(2)13-20(28-19)21(24)22-17-14-16(9-10-18(17)27-3)29(25,26)23-11-7-5-6-8-12-23/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,22,24)