N-methyl-3-nitro-4-(pentan-3-ylamino)benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-(pentan-3-ylamino)benzenesulfonamide Openeye Name: 4-(1-ethylpropylamino)-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-methyl-3-nitro-4-(pentan-3-ylamino)benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-(pentan-3-ylamino)benzenesulfonamide Traditional Name: 4-(1-ethylpropylamino)-N-methyl-3-nitro-benzenesulfonamide Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C12H19N3O4S/c1-4-9(5-2)14-11-7-6-10(20(18,19)13-3)8-12(11)15(16)17/h6-9,13-14H,4-5H2,1-3H3