ethyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4-(ethylamino)benzoate

Systemtic Name: ethyl 3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-4-(ethylamino)benzoate Openeye Name: ethyl 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-(ethylamino)benzoate CAS Name: 3-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4-(ethylamino)benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-(ethylamino)benzoate Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-(ethylamino)benzoic acid ethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31N3O5S/c1-3-25-21-14-11-19(24(29)32-4-2)17-22(21)26-23(28)18-9-12-20(13-10-18)33(30,31)27-15-7-5-6-8-16-27/h9-14,17,25H,3-8,15-16H2,1-2H3,(H,26,28)