methyl 3-[[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylamino]benzoate

Systemtic Name: methyl 3-[[3-(azepan-1-ylcarbonyl)-4-methoxy-phenyl]sulfonylamino]benzoate Openeye Name: methyl 3-[[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylamino]benzoate CAS Name: 3-[[3-[1-azepanyl(oxo)methyl]-4-methoxyphenyl]sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepane-1-carbonyl)-4-methoxyphenyl]sulfonylamino]benzoate Traditional Name: 3-[[3-(azepane-1-carbonyl)-4-methoxy-phenyl]sulfonylamino]benzoic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-29-20-11-10-18(15-19(20)21(25)24-12-5-3-4-6-13-24)31(27,28)23-17-9-7-8-16(14-17)22(26)30-2/h7-11,14-15,23H,3-6,12-13H2,1-2H3