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

Systemtic Name: N-[2-[methyl(phenyl)amino]ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide Openeye Name: N-[2-(N-methylanilino)ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propanamide CAS Name: N-[2-(N-methylanilino)ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide IUPAC Name: N-[2-(N-methylanilino)ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide Traditional Name: N-[2-(N-methylanilino)ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CN(CCNC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H23N5O5S/c1-22(14-5-3-2-4-6-14)12-11-21-18(24)9-10-20-16-8-7-15(29(19,27)28)13-17(16)23(25)26/h2-8,13,20H,9-12H2,1H3,(H,21,24)(H2,19,27,28)