methyl 3-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]-4-chloro-benzoate CAS Name: 3-[[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]-4-chloro-benzoic acid methyl ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25ClN2O6S/c1-30-19-10-8-15(14-20(19)32(28,29)25-11-5-3-4-6-12-25)21(26)24-18-13-16(22(27)31-2)7-9-17(18)23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,26)