methyl 2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[(2-chloro-5-pyrrolidinosulfonyl-benzoyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)OC

InChI

InChI=1S/C21H23ClN2O7S/c1-29-18-11-15(21(26)31-3)17(12-19(18)30-2)23-20(25)14-10-13(6-7-16(14)22)32(27,28)24-8-4-5-9-24/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,23,25)