3-nitro-4-(1-oxidanylbutan-2-ylamino)-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-4-(1-oxidanylbutan-2-ylamino)-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[1-(hydroxymethyl)propylamino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-(1-hydroxybutan-2-ylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(1-hydroxybutan-2-ylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-(1-methylolpropylamino)-3-nitro-benzenesulfonamide Formula: C13H21N3O5S MolecularWeight: 331.38794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O5S/c1-4-10(8-17)14-12-6-5-11(7-13(12)16(18)19)22(20,21)15-9(2)3/h5-7,9-10,14-15,17H,4,8H2,1-3H3