(2-aminophenyl)sulfanyl 2-[(4-methoxyphenyl)-piperazin-1-yl-methyl]-2-oxidanyl-pentanoate

Systemtic Name: (2-aminophenyl)sulfanyl 2-[(4-methoxyphenyl)-piperazin-1-yl-methyl]-2-oxidanyl-pentanoate Openeye Name: (2-aminophenyl)sulfanyl 2-hydroxy-2-[(4-methoxyphenyl)-piperazin-1-yl-methyl]pentanoate CAS Name: 2-hydroxy-2-[(4-methoxyphenyl)-(1-piperazinyl)methyl]pentanoic acid [(2-aminophenyl)thio] ester IUPAC Name: (2-aminophenyl)sulfanyl 2-hydroxy-2-[(4-methoxyphenyl)-piperazin-1-ylmethyl]pentanoate Traditional Name: 2-hydroxy-2-[(4-methoxyphenyl)-piperazino-methyl]valeric acid [(2-aminophenyl)thio] ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC=C(C=C1)OC)N2CCNCC2)(C(=O)OSC3=CC=CC=C3N)O

Isomeric SMILES

CCCC(C(C1=CC=C(C=C1)OC)N2CCNCC2)(C(=O)OSC3=CC=CC=C3N)O

InChI

InChI=1S/C23H31N3O4S/c1-3-12-23(28,22(27)30-31-20-7-5-4-6-19(20)24)21(26-15-13-25-14-16-26)17-8-10-18(29-2)11-9-17/h4-11,21,25,28H,3,12-16,24H2,1-2H3