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

Systemtic Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-4-methylbenzoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c1-15-7-8-17(22(27)30-2)13-19(15)24-21(26)16-9-10-18(23)20(14-16)31(28,29)25-11-5-3-4-6-12-25/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,24,26)