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

Systemtic Name: ethyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H28N2O5S2 MolecularWeight: 512.64092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5S2/c1-2-33-26(30)24-22(18-23(34-24)19-10-6-5-7-11-19)27-25(29)20-12-14-21(15-13-20)35(31,32)28-16-8-3-4-9-17-28/h5-7,10-15,18H,2-4,8-9,16-17H2,1H3,(H,27,29)