N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(2-nitro-4-sulfamoyl-anilino)propanamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(2-nitro-4-sulfamoylanilino)propanamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(2-nitro-4-sulfamoylanilino)propanamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5S2/c1-12(19-22-15-5-3-4-6-17(15)30-19)23(2)18(25)9-10-21-14-8-7-13(31(20,28)29)11-16(14)24(26)27/h3-8,11-12,21H,9-10H2,1-2H3,(H2,20,28,29)