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

Systemtic Name: ethyl 5-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H26N2O5S2/c1-3-28-21(25)19-15(2)13-18(29-19)22-20(24)16-9-8-10-17(14-16)30(26,27)23-11-6-4-5-7-12-23/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,22,24)