4-methylsulfonyl-2-nitro-N,N-bis(phenylmethyl)aniline

Systemtic Name: 4-methylsulfonyl-2-nitro-N,N-bis(phenylmethyl)aniline Openeye Name: N,N-dibenzyl-4-methylsulfonyl-2-nitro-aniline CAS Name: 4-methylsulfonyl-2-nitro-N,N-bis(phenylmethyl)aniline IUPAC Name: N,N-dibenzyl-4-methylsulfonyl-2-nitroaniline Traditional Name: dibenzyl-(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)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

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