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

Systemtic Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]-3-methyl-benzoate CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-methylphenyl]-oxomethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]amino]-3-methylbenzoate Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C)C

InChI

InChI=1S/C24H30N2O5S/c1-4-31-24(28)19-10-12-22(18(3)15-19)25-23(27)21-16-20(11-9-17(21)2)32(29,30)26-13-7-5-6-8-14-26/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,25,27)