diethyl 5-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H29ClN2O7S2 MolecularWeight: 557.07926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H29ClN2O7S2/c1-4-33-23(29)19-15(3)20(24(30)34-5-2)35-22(19)26-21(28)16-10-11-17(25)18(14-16)36(31,32)27-12-8-6-7-9-13-27/h10-11,14H,4-9,12-13H2,1-3H3,(H,26,28)