N-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline

Systemtic Name: N-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: N-cyclopropyl-5-(4-methylsulfonyl-1-piperazinyl)-2-nitroaniline IUPAC Name: N-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: cyclopropyl-[5-(4-mesylpiperazino)-2-nitro-phenyl]amine Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC3CC3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NC3CC3

InChI

InChI=1S/C14H20N4O4S/c1-23(21,22)17-8-6-16(7-9-17)12-4-5-14(18(19)20)13(10-12)15-11-2-3-11/h4-5,10-11,15H,2-3,6-9H2,1H3