N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-3-nitro-4-(p-tolylsulfanyl)benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[(4-methylphenyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-3-nitro-4-(p-tolylthio)benzenesulfonamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)S(=O)(=O)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S2/c1-13-4-6-14(7-5-13)25-17-9-8-15(12-16(17)20(21)22)26(23,24)18-10-11-19(2)3/h4-9,12,18H,10-11H2,1-3H3