[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)benzoate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)benzoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] 2-(2-hydroxyethylamino)benzoate CAS Name: 2-(2-hydroxyethylamino)benzoic acid [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate Traditional Name: 2-(2-hydroxyethylamino)benzoic acid [2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl] ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=CC=C3NCCO

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=CC=CC=C3NCCO

InChI

InChI=1S/C23H29N3O6S/c27-15-12-24-21-11-4-3-10-20(21)23(29)32-17-22(28)25-18-8-7-9-19(16-18)33(30,31)26-13-5-1-2-6-14-26/h3-4,7-11,16,24,27H,1-2,5-6,12-15,17H2,(H,25,28)