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

Systemtic Name: methyl 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C23H30N2O5S2 MolecularWeight: 478.6247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C23H30N2O5S2/c1-16-17(2)31-22(21(16)23(27)30-3)24-20(26)13-10-18-8-11-19(12-9-18)32(28,29)25-14-6-4-5-7-15-25/h8-9,11-12H,4-7,10,13-15H2,1-3H3,(H,24,26)