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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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