methyl 2-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-2-propan-2-yl-phenoxy]ethanoate

Systemtic Name: methyl 2-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-2-propan-2-yl-phenoxy]ethanoate Openeye Name: methyl 2-[2-isopropyl-5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-phenoxy]acetate CAS Name: 2-[5-methyl-4-[(4-phenyl-1-piperazinyl)sulfonyl]-2-propan-2-ylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-2-propan-2-ylphenoxy]acetate Traditional Name: 2-[2-isopropyl-5-methyl-4-(4-phenylpiperazino)sulfonyl-phenoxy]acetic acid methyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(C)C)OCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(C)C)OCC(=O)OC

InChI

InChI=1S/C23H30N2O5S/c1-17(2)20-15-22(18(3)14-21(20)30-16-23(26)29-4)31(27,28)25-12-10-24(11-13-25)19-8-6-5-7-9-19/h5-9,14-15,17H,10-13,16H2,1-4H3