methyl 4-[[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]methyl]benzoate CAS Name: 4-[[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]methyl]benzoic acid methyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O6S/c1-28-18-10-9-17(13-19(18)30(26,27)23-11-3-4-12-23)20(24)22-14-15-5-7-16(8-6-15)21(25)29-2/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,24)