3-[(2-nitro-4-sulfamoyl-phenyl)amino]-N-[(2S)-2-phenylpropyl]propanamide

Systemtic Name: 3-[(2-nitro-4-sulfamoyl-phenyl)amino]-N-[(2S)-2-phenylpropyl]propanamide Openeye Name: 3-(2-nitro-4-sulfamoyl-anilino)-N-[(2S)-2-phenylpropyl]propanamide CAS Name: 3-(2-nitro-4-sulfamoylanilino)-N-[(2S)-2-phenylpropyl]propanamide IUPAC Name: 3-(2-nitro-4-sulfamoylanilino)-N-[(2S)-2-phenylpropyl]propanamide Traditional Name: 3-(2-nitro-4-sulfamoyl-anilino)-N-[(2S)-2-phenylpropyl]propionamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CNC(=O)CCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H22N4O5S/c1-13(14-5-3-2-4-6-14)12-21-18(23)9-10-20-16-8-7-15(28(19,26)27)11-17(16)22(24)25/h2-8,11,13,20H,9-10,12H2,1H3,(H,21,23)(H2,19,26,27)/t13-/m1/s1