methyl 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]benzoate CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]benzoate Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]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)N2CCCCCC2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H26N2O6S/c1-29-20-12-11-16(31(27,28)24-13-7-3-4-8-14-24)15-18(20)21(25)23-19-10-6-5-9-17(19)22(26)30-2/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,23,25)