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

Systemtic Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline Openeye Name: N-[(4-isopropylphenyl)methyl]-2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline IUPAC Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline Traditional Name: (4-isopropylbenzyl)-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C27H32N4O4S/c1-20(2)23-8-6-22(7-9-23)19-28-26-18-24(10-13-27(26)31(32)33)29-14-16-30(17-15-29)36(34,35)25-11-4-21(3)5-12-25/h4-13,18,20,28H,14-17,19H2,1-3H3