[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethyl] ester Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

COC1=CC=CC(=C1O)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H25ClN2O7S/c1-31-19-8-6-7-16(21(19)27)22(28)32-14-20(26)24-18-13-15(9-10-17(18)23)33(29,30)25-11-4-2-3-5-12-25/h6-10,13,27H,2-5,11-12,14H2,1H3,(H,24,26)