methyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H26N2O5S2/c1-32-25(29)23-21(17-22(33-23)18-9-5-4-6-10-18)26-24(28)19-11-13-20(14-12-19)34(30,31)27-15-7-2-3-8-16-27/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3,(H,26,28)