N-[2-(4-chloranylphenoxy)ethyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline

Systemtic Name: N-[2-(4-chloranylphenoxy)ethyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-[2-(4-chlorophenoxy)ethyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: N-[2-(4-chlorophenoxy)ethyl]-5-(4-methylsulfonyl-1-piperazinyl)-2-nitroaniline IUPAC Name: N-[2-(4-chlorophenoxy)ethyl]-5-(4-methylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: 2-(4-chlorophenoxy)ethyl-[5-(4-mesylpiperazino)-2-nitro-phenyl]amine Formula: C19H23ClN4O5S MolecularWeight: 454.92772

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN4O5S/c1-30(27,28)23-11-9-22(10-12-23)16-4-7-19(24(25)26)18(14-16)21-8-13-29-17-5-2-15(20)3-6-17/h2-7,14,21H,8-13H2,1H3