N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: 4-morpholinosulfonyl-N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]-2-nitro-aniline CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: (4-morpholinosulfonyl-2-nitro-phenyl)-[2-[4-(m-tolyl)piperazino]ethyl]amine Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

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