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

Systemtic Name: methyl 3-[[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]-4-chloro-benzoate CAS Name: 3-[[[5-(1-azepanylsulfonyl)-2-methylphenyl]-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]-4-chloro-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)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

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