2-[2-azanyl-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4-chloranyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-azanyl-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4-chloranyl-phenyl]ethanoic acid Openeye Name: 2-[2-amino-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4-chloro-phenyl]acetic acid CAS Name: 2-[2-amino-5-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]-4-chlorophenyl]acetic acid IUPAC Name: 2-[2-amino-5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4-chlorophenyl]acetic acid Traditional Name: 2-[2-amino-5-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]-4-chloro-phenyl]acetic acid Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=C(C=C(C(=C2)CC(=O)O)N)Cl)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCC2=C(C=C(C(=C2)CC(=O)O)N)Cl)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H23ClN4O2S/c22-17-13-18(23)15(12-20(27)28)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)29-24-21/h1-4,11,13H,5-10,12,23H2,(H,27,28)