N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: methyl-[2-(4-methylphenoxy)ethyl]-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCN(C)C2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5S/c1-17-4-6-18(7-5-17)30-15-14-23(3)20-9-8-19(16-21(20)25(26)27)31(28,29)24-12-10-22(2)11-13-24/h4-9,16H,10-15H2,1-3H3