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

Systemtic Name: methyl 3-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-chlorophenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]amino]-4-methylbenzoate Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-chloro-benzoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

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