2-[2-[[2-(1-benzothiophen-2-yl)phenyl]methylsulfinyl]ethanoyl]piperazine-1-carboxylic acid

Systemtic Name: 2-[2-[[2-(1-benzothiophen-2-yl)phenyl]methylsulfinyl]ethanoyl]piperazine-1-carboxylic acid Openeye Name: 2-[2-[[2-(benzothiophen-2-yl)phenyl]methylsulfinyl]acetyl]piperazine-1-carboxylic acid CAS Name: 2-[2-[[2-(1-benzothiophen-2-yl)phenyl]methylsulfinyl]-1-oxoethyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[2-[[2-(1-benzothiophen-2-yl)phenyl]methylsulfinyl]acetyl]piperazine-1-carboxylic acid Traditional Name: 2-[2-[2-(benzothiophen-2-yl)benzyl]sulfinylacetyl]piperazine-1-carboxylic acid Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)CS(=O)CC2=CC=CC=C2C3=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CN(C(CN1)C(=O)CS(=O)CC2=CC=CC=C2C3=CC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C22H22N2O4S2/c25-19(18-12-23-9-10-24(18)22(26)27)14-30(28)13-16-6-1-3-7-17(16)21-11-15-5-2-4-8-20(15)29-21/h1-8,11,18,23H,9-10,12-14H2,(H,26,27)