methyl 4-methyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoate

Systemtic Name: methyl 4-methyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoate Openeye Name: methyl 4-methyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoate CAS Name: 4-methyl-3-[[2-(1-pyrrolidinylmethyl)phenyl]methylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]benzoate Traditional Name: 4-methyl-3-[[2-(pyrrolidinomethyl)benzyl]sulfamoyl]benzoic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NCC2=CC=CC=C2CN3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NCC2=CC=CC=C2CN3CCCC3

InChI

InChI=1S/C21H26N2O4S/c1-16-9-10-17(21(24)27-2)13-20(16)28(25,26)22-14-18-7-3-4-8-19(18)15-23-11-5-6-12-23/h3-4,7-10,13,22H,5-6,11-12,14-15H2,1-2H3