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

Systemtic Name: N-[3-[ethyl(phenyl)amino]propyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide Openeye Name: N-[3-(N-ethylanilino)propyl]-3-(2-nitro-4-sulfamoyl-anilino)propanamide CAS Name: N-[3-(N-ethylanilino)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide IUPAC Name: N-[3-(N-ethylanilino)propyl]-3-(2-nitro-4-sulfamoylanilino)propanamide Traditional Name: N-[3-(N-ethylanilino)propyl]-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCN(CCCNC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C20H27N5O5S/c1-2-24(16-7-4-3-5-8-16)14-6-12-23-20(26)11-13-22-18-10-9-17(31(21,29)30)15-19(18)25(27)28/h3-5,7-10,15,22H,2,6,11-14H2,1H3,(H,23,26)(H2,21,29,30)