N-(2,2-diphenylethyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(2,2-diphenylethyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(2,2-diphenylethyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-(2,2-diphenylethyl)-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(2,2-diphenylethyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: 2,2-diphenylethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-28(26,27)18-12-13-20(21(14-18)23(24)25)22-15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19,22H,15H2,1H3