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

Systemtic Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-methyl-benzoate CAS Name: 4-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-3-methylbenzoate Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O5S/c1-3-31-23(28)18-9-11-20(16(2)14-18)25-22(27)17-8-10-19(24)21(15-17)32(29,30)26-12-6-4-5-7-13-26/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,25,27)