N-methyl-3-nitro-4-(4-prop-2-ynylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-(4-prop-2-ynylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-(4-prop-2-ynylpiperazin-1-yl)benzenesulfonamide CAS Name: N-methyl-3-nitro-4-(4-prop-2-ynyl-1-piperazinyl)benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-(4-prop-2-ynylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-(4-propargylpiperazino)benzenesulfonamide Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC#C)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC#C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4S/c1-3-6-16-7-9-17(10-8-16)13-5-4-12(23(21,22)15-2)11-14(13)18(19)20/h1,4-5,11,15H,6-10H2,2H3