N-tert-butyl-3-[(2-nitro-4-sulfamoyl-phenyl)amino]-4-phenylsulfanyl-butanamide

Systemtic Name: N-tert-butyl-3-[(2-nitro-4-sulfamoyl-phenyl)amino]-4-phenylsulfanyl-butanamide Openeye Name: N-tert-butyl-3-(2-nitro-4-sulfamoyl-anilino)-4-phenylsulfanyl-butanamide CAS Name: N-tert-butyl-3-(2-nitro-4-sulfamoylanilino)-4-(phenylthio)butanamide IUPAC Name: N-tert-butyl-3-(2-nitro-4-sulfamoylanilino)-4-phenylsulfanylbutanamide Traditional Name: N-tert-butyl-3-(2-nitro-4-sulfamoyl-anilino)-4-(phenylthio)butyramide Formula: C20H26N4O5S2 MolecularWeight: 466.57424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S2/c1-20(2,3)23-19(25)11-14(13-30-15-7-5-4-6-8-15)22-17-10-9-16(31(21,28)29)12-18(17)24(26)27/h4-10,12,14,22H,11,13H2,1-3H3,(H,23,25)(H2,21,28,29)