5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-nitro-aniline

Systemtic Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-nitro-aniline Openeye Name: N-(3-morpholinopropyl)-2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-N-[3-(4-morpholinyl)propyl]-2-nitroaniline IUPAC Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-nitroaniline Traditional Name: 3-morpholinopropyl-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C24H33N5O5S MolecularWeight: 503.61432

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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-])NCCCN4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCCN4CCOCC4

InChI

InChI=1S/C24H33N5O5S/c1-20-3-6-22(7-4-20)35(32,33)28-13-11-27(12-14-28)21-5-8-24(29(30)31)23(19-21)25-9-2-10-26-15-17-34-18-16-26/h3-8,19,25H,2,9-18H2,1H3