N-[4-(3-oxidanylpentan-3-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-(3-oxidanylpentan-3-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-(1-ethyl-1-hydroxy-propyl)thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-(3-hydroxypentan-3-yl)-2-thiazolyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(1-ethyl-1-hydroxy-propyl)thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CSC(=N1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)O

Isomeric SMILES

CCC(CC)(C1=CSC(=N1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)O

InChI

InChI=1S/C17H22N2O5S2/c1-3-17(20,4-2)15-11-25-16(18-15)19-26(21,22)12-6-7-13-14(10-12)24-9-5-8-23-13/h6-7,10-11,20H,3-5,8-9H2,1-2H3,(H,18,19)