N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(2-nitroanilino)propanamide CAS Name: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-(2-nitroanilino)propionamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O5S/c1-13-8-9-14(28(26,27)21(2)3)12-16(13)20-18(23)10-11-19-15-6-4-5-7-17(15)22(24)25/h4-9,12,19H,10-11H2,1-3H3,(H,20,23)