[4-[(2-cyanoethylamino)carbamoyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(2-cyanoethylamino)carbamoyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(2-cyanoethylamino)carbamoyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2-cyanoethylhydrazo)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-cyanoethylamino)carbamoyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(2-cyanoethylamino)carbamoyl]phenyl] ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NNCCC#N

InChI

InChI=1S/C17H17N3O4S/c1-13-3-9-16(10-4-13)25(22,23)24-15-7-5-14(6-8-15)17(21)20-19-12-2-11-18/h3-10,19H,2,12H2,1H3,(H,20,21)