N-[2-(2-methylphenyl)ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(2-methylphenyl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-[2-(o-tolyl)ethyl]aniline CAS Name: N-[2-(2-methylphenyl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(2-methylphenyl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[2-(o-tolyl)ethyl]amine Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S/c1-12-5-3-4-6-13(12)9-10-17-15-8-7-14(23(2,21)22)11-16(15)18(19)20/h3-8,11,17H,9-10H2,1-2H3