ethyl 4-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)thiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-thiophenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)thiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)thiophene-2-carbonyl]amino]benzoic acid ethyl ester Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(S2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(S2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24N2O5S2/c1-2-27-20(24)15-7-9-16(10-8-15)21-19(23)17-11-12-18(28-17)29(25,26)22-13-5-3-4-6-14-22/h7-12H,2-6,13-14H2,1H3,(H,21,23)