N-[2-(4-chlorophenyl)sulfanylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H18ClNO4S2 MolecularWeight: 399.91212

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCSC3=CC=C(C=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCSC3=CC=C(C=C3)Cl)OC1

InChI

InChI=1S/C17H18ClNO4S2/c18-13-2-4-14(5-3-13)24-11-8-19-25(20,21)15-6-7-16-17(12-15)23-10-1-9-22-16/h2-7,12,19H,1,8-11H2