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

Systemtic Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-5-(1,3-benzodioxol-5-ylmethyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H32N2O7S2 MolecularWeight: 584.70358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C29H32N2O7S2/c1-3-36-29(33)26-19(2)25(17-20-8-13-23-24(16-20)38-18-37-23)39-28(26)30-27(32)21-9-11-22(12-10-21)40(34,35)31-14-6-4-5-7-15-31/h8-13,16H,3-7,14-15,17-18H2,1-2H3,(H,30,32)