4-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]morpholine

Systemtic Name: 4-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]morpholine Openeye Name: 4-[2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]morpholine CAS Name: 4-[5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]morpholine IUPAC Name: 4-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]morpholine Traditional Name: 4-[2-nitro-5-(4-tosylpiperazino)phenyl]morpholine Formula: C21H26N4O5S MolecularWeight: 446.51994

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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-])N4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-17-2-5-19(6-3-17)31(28,29)24-10-8-22(9-11-24)18-4-7-20(25(26)27)21(16-18)23-12-14-30-15-13-23/h2-7,16H,8-15H2,1H3