[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(phenylsulfonyl)cyclopentane-1-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(phenylsulfonyl)cyclopentane-1-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(benzenesulfonyl)cyclopentanecarboxylate CAS Name: 1-(benzenesulfonyl)-1-cyclopentanecarboxylic 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 1-(benzenesulfonyl)cyclopentane-1-carboxylate Traditional Name: 1-besylcyclopentanecarboxylic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O4S/c1-23(2)17-21-14(20-16(19)22-17)12-27-15(24)18(10-6-7-11-18)28(25,26)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3,(H2,19,20,21,22)