2-[4-[2-(dimethylaminomethyl)phenyl]sulfanyl-3-nitro-phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-[2-(dimethylaminomethyl)phenyl]sulfanyl-3-nitro-phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-[2-(dimethylaminomethyl)phenyl]sulfanyl-3-nitro-phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-[[2-(dimethylaminomethyl)phenyl]thio]-3-nitrophenyl]ethyl ester IUPAC Name: 2-[4-[2-(dimethylaminomethyl)phenyl]sulfanyl-3-nitrophenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-[[2-(dimethylaminomethyl)phenyl]thio]-3-nitro-phenyl]ethyl ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=C(C=C2)SC3=CC=CC=C3CN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=C(C=C2)SC3=CC=CC=C3CN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H26N2O5S2/c1-18-8-11-21(12-9-18)33(29,30)31-15-14-19-10-13-24(22(16-19)26(27)28)32-23-7-5-4-6-20(23)17-25(2)3/h4-13,16H,14-15,17H2,1-3H3