4-[[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-2-oxidanylidene-piperazin-1-yl]methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-oxo-piperazin-1-yl]methyl]piperidine-1-carboxylic acid CAS Name: 4-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]piperidine-1-carboxylic acid Traditional Name: 4-[[4-(6-chlorobenzothiophen-2-yl)sulfonyl-2-keto-piperazino]methyl]piperidine-1-carboxylic acid Formula: C19H22ClN3O5S2 MolecularWeight: 471.97808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(S3)C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CN(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(S3)C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C19H22ClN3O5S2/c20-15-2-1-14-9-18(29-16(14)10-15)30(27,28)23-8-7-22(17(24)12-23)11-13-3-5-21(6-4-13)19(25)26/h1-2,9-10,13H,3-8,11-12H2,(H,25,26)