methyl 3-[[4-(dimethylsulfamoyl)piperazin-1-yl]carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[4-(dimethylsulfamoyl)piperazin-1-yl]carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[4-(dimethylsulfamoyl)piperazine-1-carbonyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[4-(dimethylsulfamoyl)-1-piperazinyl]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(dimethylsulfamoyl)piperazine-1-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[4-(dimethylsulfamoyl)piperazine-1-carbonyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C19H29N5O5S MolecularWeight: 439.52906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

InChI

InChI=1S/C19H29N5O5S/c1-21(2)30(27,28)24-12-10-23(11-13-24)19(26)20-16-14-15(18(25)29-3)6-7-17(16)22-8-4-5-9-22/h6-7,14H,4-5,8-13H2,1-3H3,(H,20,26)