N-(3,3-diphenylpropyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(3,3-diphenylpropyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(3,3-diphenylpropyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-(3,3-diphenylpropyl)-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(3,3-diphenylpropyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: 3,3-diphenylpropyl-(4-mesyl-2-nitro-phenyl)amine Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O4S/c1-29(27,28)19-12-13-21(22(16-19)24(25)26)23-15-14-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,20,23H,14-15H2,1H3