3-(3-methylphenoxy)-1-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-methylphenoxy)-1-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3-methylphenoxy)-1-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-methylphenoxy)-1-[4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-methylphenoxy)-1-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-methylphenoxy)-1-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazino]propan-1-one Formula: C24H30N4O7S MolecularWeight: 518.5826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O7S/c1-19-3-2-4-20(17-19)35-14-7-24(29)26-10-8-25(9-11-26)22-6-5-21(18-23(22)28(30)31)36(32,33)27-12-15-34-16-13-27/h2-6,17-18H,7-16H2,1H3