2-[2-(5-chloranyl-1,3-benzothiazol-2-yl)ethylamino]-5-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-[2-(5-chloranyl-1,3-benzothiazol-2-yl)ethylamino]-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylamino]-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylamino]-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylamino]-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethylamino]-5-piperidinosulfonyl-benzoic acid Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=NC4=C(S3)C=CC(=C4)Cl)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=NC4=C(S3)C=CC(=C4)Cl)C(=O)O

InChI

InChI=1S/C21H22ClN3O4S2/c22-14-4-7-19-18(12-14)24-20(30-19)8-9-23-17-6-5-15(13-16(17)21(26)27)31(28,29)25-10-2-1-3-11-25/h4-7,12-13,23H,1-3,8-11H2,(H,26,27)