2-[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1,3-benzothiazol-3-yl]ethanoic acid

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1,3-benzothiazol-3-yl]ethanoic acid Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzothiazol-3-yl]acetic acid CAS Name: 2-[6-(1-azepanylsulfonyl)-2-oxo-1,3-benzothiazol-3-yl]acetic acid IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzothiazol-3-yl]acetic acid Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-2-keto-1,3-benzothiazol-3-yl]acetic acid Formula: C15H18N2O5S2 MolecularWeight: 370.44382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)S3)CC(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)S3)CC(=O)O

InChI

InChI=1S/C15H18N2O5S2/c18-14(19)10-17-12-6-5-11(9-13(12)23-15(17)20)24(21,22)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2,(H,18,19)