N-(3-methylbutyl)-1-(3-nitrophenyl)methanesulfonamide

Systemtic Name: N-(3-methylbutyl)-1-(3-nitrophenyl)methanesulfonamide Openeye Name: N-isopentyl-1-(3-nitrophenyl)methanesulfonamide CAS Name: N-(3-methylbutyl)-1-(3-nitrophenyl)methanesulfonamide IUPAC Name: N-(3-methylbutyl)-1-(3-nitrophenyl)methanesulfonamide Traditional Name: N-isoamyl-1-(3-nitrophenyl)methanesulfonamide Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNS(=O)(=O)CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNS(=O)(=O)CC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O4S/c1-10(2)6-7-13-19(17,18)9-11-4-3-5-12(8-11)14(15)16/h3-5,8,10,13H,6-7,9H2,1-2H3