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

Systemtic Name: N-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-methyl-5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-aniline CAS Name: N-methyl-5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitroaniline IUPAC Name: N-methyl-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: methyl-[5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]amine Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-22-20-15-18(7-9-21(20)25(26)27)23-10-12-24(13-11-23)30(28,29)19-8-6-16-4-2-3-5-17(16)14-19/h2-9,14-15,22H,10-13H2,1H3