N-(3-methylbutyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(3-methylbutyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-isopentyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-(3-methylbutyl)-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(3-methylbutyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: isoamyl-(4-mesyl-2-nitro-phenyl)amine Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O4S/c1-9(2)6-7-13-11-5-4-10(19(3,17)18)8-12(11)14(15)16/h4-5,8-9,13H,6-7H2,1-3H3