N-[3-(1,3-dioxan-2-yl)phenyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-[3-(1,3-dioxan-2-yl)phenyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[3-(1,3-dioxan-2-yl)phenyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-[3-(1,3-dioxan-2-yl)phenyl]-2-(methylthio)-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[3-(1,3-dioxan-2-yl)phenyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[3-(1,3-dioxan-2-yl)phenyl]-2-(methylthio)-1,3-benzothiazole-6-sulfonamide Formula: C18H18N2O4S3 MolecularWeight: 422.54152

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C4OCCCO4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C4OCCCO4

InChI

InChI=1S/C18H18N2O4S3/c1-25-18-19-15-7-6-14(11-16(15)26-18)27(21,22)20-13-5-2-4-12(10-13)17-23-8-3-9-24-17/h2,4-7,10-11,17,20H,3,8-9H2,1H3