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

Systemtic Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-yl-aniline Openeye Name: N-isopropyl-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: 5-(4-methylsulfonyl-1-piperazinyl)-2-nitro-N-propan-2-ylaniline IUPAC Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-propan-2-ylaniline Traditional Name: isopropyl-[5-(4-mesylpiperazino)-2-nitro-phenyl]amine Formula: C14H22N4O4S MolecularWeight: 342.41388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H22N4O4S/c1-11(2)15-13-10-12(4-5-14(13)18(19)20)16-6-8-17(9-7-16)23(3,21)22/h4-5,10-11,15H,6-9H2,1-3H3