N-[2-(3-methylphenoxy)ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(3-methylphenoxy)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(3-methylphenoxy)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[2-(3-methylphenoxy)ethyl]amine Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-12-4-3-5-13(10-12)23-9-8-17-15-7-6-14(24(2,21)22)11-16(15)18(19)20/h3-7,10-11,17H,8-9H2,1-2H3