(2R)-4-(2-chloroethyloxy)-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butane-1-sulfonate

Systemtic Name: (2R)-4-(2-chloroethyloxy)-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butane-1-sulfonate Openeye Name: (2R)-4-(2-chloroethoxy)-4-oxo-2-(p-tolylsulfonylamino)butane-1-sulfonate CAS Name: (2R)-4-(2-chloroethoxy)-2-[(4-methylphenyl)sulfonylamino]-4-oxo-1-butanesulfonate IUPAC Name: (2R)-4-(2-chloroethoxy)-2-[(4-methylphenyl)sulfonylamino]-4-oxobutane-1-sulfonate Traditional Name: (2R)-4-(2-chloroethoxy)-4-keto-2-(tosylamino)butane-1-sulfonate Formula: C13H17ClNO7S2- MolecularWeight: 398.85958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)OCCCl)CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(=O)OCCCl)CS(=O)(=O)[O-]

InChI

InChI=1S/C13H18ClNO7S2/c1-10-2-4-12(5-3-10)24(20,21)15-11(9-23(17,18)19)8-13(16)22-7-6-14/h2-5,11,15H,6-9H2,1H3,(H,17,18,19)/p-1/t11-/m1/s1