N-(2-dimethylaminoethyl)-3-nitro-4-phenylsulfanyl-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-nitro-4-phenylsulfanyl-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-3-nitro-4-phenylsulfanyl-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-3-nitro-4-(phenylthio)benzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-3-nitro-4-phenylsulfanylbenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-3-nitro-4-(phenylthio)benzenesulfonamide Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S2/c1-18(2)11-10-17-25(22,23)14-8-9-16(15(12-14)19(20)21)24-13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3