4-(2-chloroethyloxy)-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butane-1-sulfonic acid

Systemtic Name: 4-(2-chloroethyloxy)-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butane-1-sulfonic acid Openeye Name: 4-(2-chloroethoxy)-4-oxo-2-(p-tolylsulfonylamino)butane-1-sulfonic acid CAS Name: 4-(2-chloroethoxy)-2-[(4-methylphenyl)sulfonylamino]-4-oxo-1-butanesulfonic acid IUPAC Name: 4-(2-chloroethoxy)-2-[(4-methylphenyl)sulfonylamino]-4-oxobutane-1-sulfonic acid Traditional Name: 4-(2-chloroethoxy)-4-keto-2-(tosylamino)butane-1-sulfonic acid Formula: C13H18ClNO7S2 MolecularWeight: 399.86752

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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)NC(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)