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

Systemtic Name: 2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(4-isopropylphenyl)methyl]-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-(4-isopropylbenzyl)amine Formula: C26H30N4O4S MolecularWeight: 494.6058

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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)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O4S/c1-20(2)22-10-8-21(9-11-22)19-27-25-18-23(12-13-26(25)30(31)32)28-14-16-29(17-15-28)35(33,34)24-6-4-3-5-7-24/h3-13,18,20,27H,14-17,19H2,1-2H3