2-(3-methyl-4-propan-2-yl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6S/c1-16(2)22-9-8-20(14-17(22)3)32-18(4)23(27)24-10-12-25(13-11-24)33(30,31)21-7-5-6-19(15-21)26(28)29/h5-9,14-16,18H,10-13H2,1-4H3