methyl 2-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonyl-2-methyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-(4-benzhydrylpiperazin-1-yl)sulfonyl-2-methyl-phenoxy]acetate CAS Name: 2-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]-2-methylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-benzhydrylpiperazin-1-yl)sulfonyl-2-methylphenoxy]acetate Traditional Name: 2-[4-(4-benzhydrylpiperazino)sulfonyl-2-methyl-phenoxy]acetic acid methyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OCC(=O)OC

InChI

InChI=1S/C27H30N2O5S/c1-21-19-24(13-14-25(21)34-20-26(30)33-2)35(31,32)29-17-15-28(16-18-29)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,27H,15-18,20H2,1-2H3