7-chloranyl-3-oxidanyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid

Systemtic Name: 7-chloranyl-3-oxidanyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid Openeye Name: 7-chloro-3-hydroxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid CAS Name: 7-chloro-3-hydroxy-4-[3-(4-phenyl-1-piperazinyl)propyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid IUPAC Name: 7-chloro-3-hydroxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylic acid Traditional Name: 7-chloro-3-hydroxy-4-[3-(4-phenylpiperazino)propyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid Formula: C23H27ClN2O4S MolecularWeight: 462.98948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2(C(COC3=C(S2)C=C(C=C3)Cl)O)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCC2(C(COC3=C(S2)C=C(C=C3)Cl)O)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H27ClN2O4S/c24-17-7-8-19-20(15-17)31-23(22(28)29,21(27)16-30-19)9-4-10-25-11-13-26(14-12-25)18-5-2-1-3-6-18/h1-3,5-8,15,21,27H,4,9-14,16H2,(H,28,29)