[(4-aminocarbonyl-2-azanyl-3-methyl-phenyl)carbonyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methanesulfonic acid

Systemtic Name: [(4-aminocarbonyl-2-azanyl-3-methyl-phenyl)carbonyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methanesulfonic acid Openeye Name: [(2-amino-4-carbamoyl-3-methyl-benzoyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]methanesulfonic acid CAS Name: [[(2-amino-4-carbamoyl-3-methylphenyl)-oxomethyl]-[2-(3,4-dimethoxyphenyl)ethyl]amino]methanesulfonic acid IUPAC Name: [(2-amino-4-carbamoyl-3-methylbenzoyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]methanesulfonic acid Traditional Name: [(2-amino-4-carbamoyl-3-methyl-benzoyl)-homoveratryl-amino]methanesulfonic acid Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N)C(=O)N(CCC2=CC(=C(C=C2)OC)OC)CS(=O)(=O)O)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1N)C(=O)N(CCC2=CC(=C(C=C2)OC)OC)CS(=O)(=O)O)C(=O)N

InChI

InChI=1S/C20H25N3O7S/c1-12-14(19(22)24)5-6-15(18(12)21)20(25)23(11-31(26,27)28)9-8-13-4-7-16(29-2)17(10-13)30-3/h4-7,10H,8-9,11,21H2,1-3H3,(H2,22,24)(H,26,27,28)