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

Systemtic Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)-2-nitro-aniline Openeye Name: N-(2-morpholinoethyl)-2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-N-[2-(4-morpholinyl)ethyl]-2-nitroaniline IUPAC Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-morpholin-4-ylethyl)-2-nitroaniline Traditional Name: 2-morpholinoethyl-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C23H31N5O5S MolecularWeight: 489.58774

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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-])NCCN4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCN4CCOCC4

InChI

InChI=1S/C23H31N5O5S/c1-19-2-5-21(6-3-19)34(31,32)27-12-10-26(11-13-27)20-4-7-23(28(29)30)22(18-20)24-8-9-25-14-16-33-17-15-25/h2-7,18,24H,8-17H2,1H3