N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(3-chlorophenyl)methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (3-chlorobenzyl)-(4-mesyl-2-nitro-phenyl)amine Formula: C14H13ClN2O4S MolecularWeight: 340.78202

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN2O4S/c1-22(20,21)12-5-6-13(14(8-12)17(18)19)16-9-10-3-2-4-11(15)7-10/h2-8,16H,9H2,1H3