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

Systemtic Name: N-[2-(2-methylphenoxy)ethyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-[2-(2-methylphenoxy)ethyl]-2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: N-[2-(2-methylphenoxy)ethyl]-5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-[2-(2-methylphenoxy)ethyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: 2-(2-methylphenoxy)ethyl-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C26H30N4O5S MolecularWeight: 510.6052

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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=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCOC4=CC=CC=C4C

InChI

InChI=1S/C26H30N4O5S/c1-20-7-10-23(11-8-20)36(33,34)29-16-14-28(15-17-29)22-9-12-25(30(31)32)24(19-22)27-13-18-35-26-6-4-3-5-21(26)2/h3-12,19,27H,13-18H2,1-2H3