N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide Openeye Name: 3-(2-nitro-4-sulfamoyl-anilino)-N-[2-(p-tolylmethylsulfanyl)ethyl]propanamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C19H24N4O5S2 MolecularWeight: 452.54766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S2/c1-14-2-4-15(5-3-14)13-29-11-10-22-19(24)8-9-21-17-7-6-16(30(20,27)28)12-18(17)23(25)26/h2-7,12,21H,8-11,13H2,1H3,(H,22,24)(H2,20,27,28)