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

Systemtic Name: N-[2-(4-chloranylphenoxy)ethyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-[2-(4-chlorophenoxy)ethyl]-2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: N-[2-(4-chlorophenoxy)ethyl]-5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-[2-(4-chlorophenoxy)ethyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: 2-(4-chlorophenoxy)ethyl-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C25H27ClN4O5S MolecularWeight: 531.02368

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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-])NCCOC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H27ClN4O5S/c1-19-2-9-23(10-3-19)36(33,34)29-15-13-28(14-16-29)21-6-11-25(30(31)32)24(18-21)27-12-17-35-22-7-4-20(26)5-8-22/h2-11,18,27H,12-17H2,1H3