2-[2-(4-methylphenyl)sulfonyloxyethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(4-methylphenyl)sulfonyloxyethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(5-nitrothiazol-2-yl)-[2-(p-tolylsulfonyloxy)ethyl]amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(4-methylphenyl)sulfonyloxyethyl-(5-nitro-2-thiazolyl)amino]ethyl ester IUPAC Name: 2-[2-(4-methylphenyl)sulfonyloxyethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(5-nitrothiazol-2-yl)-(2-tosyloxyethyl)amino]ethyl ester Formula: C21H23N3O8S3 MolecularWeight: 541.61762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O8S3/c1-16-3-7-18(8-4-16)34(27,28)31-13-11-23(21-22-15-20(33-21)24(25)26)12-14-32-35(29,30)19-9-5-17(2)6-10-19/h3-10,15H,11-14H2,1-2H3