[(Z)-1-[2-(dimethylamino)pyridin-4-yl]ethylideneamino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-1-[2-(dimethylamino)pyridin-4-yl]ethylideneamino] 4-methylbenzenesulfonate Openeye Name: [(Z)-1-[2-(dimethylamino)-4-pyridyl]ethylideneamino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-1-[2-(dimethylamino)-4-pyridinyl]ethylideneamino] ester IUPAC Name: [(Z)-1-[2-(dimethylamino)pyridin-4-yl]ethylideneamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-1-[2-(dimethylamino)-4-pyridyl]ethylideneamino] ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C)C2=CC(=NC=C2)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C)\C2=CC(=NC=C2)N(C)C

InChI

InChI=1S/C16H19N3O3S/c1-12-5-7-15(8-6-12)23(20,21)22-18-13(2)14-9-10-17-16(11-14)19(3)4/h5-11H,1-4H3/b18-13-