4-(3,3-diphenylpropylamino)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(3,3-diphenylpropylamino)-3-nitro-benzenesulfonamide Openeye Name: 4-(3,3-diphenylpropylamino)-3-nitro-benzenesulfonamide CAS Name: 4-(3,3-diphenylpropylamino)-3-nitrobenzenesulfonamide IUPAC Name: 4-(3,3-diphenylpropylamino)-3-nitrobenzenesulfonamide Traditional Name: 4-(3,3-diphenylpropylamino)-3-nitro-benzenesulfonamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c22-29(27,28)18-11-12-20(21(15-18)24(25)26)23-14-13-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,19,23H,13-14H2,(H2,22,27,28)