methyl 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]-4-methylbenzoate Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H28N2O6S/c1-16-8-9-17(23(27)31-3)14-20(16)24-22(26)19-15-18(10-11-21(19)30-2)32(28,29)25-12-6-4-5-7-13-25/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,24,26)