N-[(4-chlorophenyl)methyl]-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-aniline

Systemtic Name: N-[(4-chlorophenyl)methyl]-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-[(4-chlorophenyl)methyl]-5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-aniline CAS Name: N-[(4-chlorophenyl)methyl]-5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitroaniline IUPAC Name: N-[(4-chlorophenyl)methyl]-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: (4-chlorobenzyl)-[5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]amine Formula: C27H25ClN4O4S MolecularWeight: 537.0298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H25ClN4O4S/c28-23-8-5-20(6-9-23)19-29-26-18-24(10-12-27(26)32(33)34)30-13-15-31(16-14-30)37(35,36)25-11-7-21-3-1-2-4-22(21)17-25/h1-12,17-18,29H,13-16,19H2