5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline

Systemtic Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline Openeye Name: N-[(4-isopropylphenyl)methyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: 5-(4-methylsulfonyl-1-piperazinyl)-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline IUPAC Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline Traditional Name: (4-isopropylbenzyl)-[5-(4-mesylpiperazino)-2-nitro-phenyl]amine Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4S/c1-16(2)18-6-4-17(5-7-18)15-22-20-14-19(8-9-21(20)25(26)27)23-10-12-24(13-11-23)30(3,28)29/h4-9,14,16,22H,10-13,15H2,1-3H3