[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H22N6O4S/c1-22(2)17-20-14(19-16(18)21-17)11-27-15(24)12-6-5-7-13(10-12)28(25,26)23-8-3-4-9-23/h5-7,10H,3-4,8-9,11H2,1-2H3,(H2,18,19,20,21)