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

Systemtic Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline Openeye Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(4-isopropylphenyl)methyl]-2-nitro-aniline CAS Name: 5-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline IUPAC Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline Traditional Name: [5-[4-(4-chlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-(4-isopropylbenzyl)amine Formula: C26H29ClN4O4S MolecularWeight: 529.05086

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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=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H29ClN4O4S/c1-19(2)21-5-3-20(4-6-21)18-28-25-17-23(9-12-26(25)31(32)33)29-13-15-30(16-14-29)36(34,35)24-10-7-22(27)8-11-24/h3-12,17,19,28H,13-16,18H2,1-2H3