3-azanyl-1-(1-methylsulfonylpyrrolidin-2-yl)-2-oxidanyl-1-oxidanylidene-4-phenyl-butane-2-sulfonic acid

Systemtic Name: 3-azanyl-1-(1-methylsulfonylpyrrolidin-2-yl)-2-oxidanyl-1-oxidanylidene-4-phenyl-butane-2-sulfonic acid Openeye Name: 3-amino-2-hydroxy-1-(1-methylsulfonylpyrrolidin-2-yl)-1-oxo-4-phenyl-butane-2-sulfonic acid CAS Name: 3-amino-2-hydroxy-1-(1-methylsulfonyl-2-pyrrolidinyl)-1-oxo-4-phenyl-2-butanesulfonic acid IUPAC Name: 3-amino-2-hydroxy-1-(1-methylsulfonylpyrrolidin-2-yl)-1-oxo-4-phenylbutane-2-sulfonic acid Traditional Name: 3-amino-2-hydroxy-1-keto-1-(1-mesylpyrrolidin-2-yl)-4-phenyl-butane-2-sulfonic acid Formula: C15H22N2O7S2 MolecularWeight: 406.47438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC1C(=O)C(C(CC2=CC=CC=C2)N)(O)S(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCCC1C(=O)C(C(CC2=CC=CC=C2)N)(O)S(=O)(=O)O

InChI

InChI=1S/C15H22N2O7S2/c1-25(20,21)17-9-5-8-12(17)14(18)15(19,26(22,23)24)13(16)10-11-6-3-2-4-7-11/h2-4,6-7,12-13,19H,5,8-10,16H2,1H3,(H,22,23,24)