5-(aziridin-1-yl)-N-[2,3-bis(oxidanyl)propyl]-2-methylsulfonyl-4-nitro-benzamide

Systemtic Name: 5-(aziridin-1-yl)-N-[2,3-bis(oxidanyl)propyl]-2-methylsulfonyl-4-nitro-benzamide Openeye Name: 5-(aziridin-1-yl)-N-(2,3-dihydroxypropyl)-2-methylsulfonyl-4-nitro-benzamide CAS Name: 5-(1-aziridinyl)-N-(2,3-dihydroxypropyl)-2-methylsulfonyl-4-nitrobenzamide IUPAC Name: 5-(aziridin-1-yl)-N-(2,3-dihydroxypropyl)-2-methylsulfonyl-4-nitrobenzamide Traditional Name: 5-ethylenimino-N-glyceryl-2-mesyl-4-nitro-benzamide Formula: C13H17N3O7S MolecularWeight: 359.35498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1C(=O)NCC(CO)O)N2CC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1C(=O)NCC(CO)O)N2CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O7S/c1-24(22,23)12-5-11(16(20)21)10(15-2-3-15)4-9(12)13(19)14-6-8(18)7-17/h4-5,8,17-18H,2-3,6-7H2,1H3,(H,14,19)