N-[4-(3-oxidanylpentan-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Systemtic Name: N-[4-(3-oxidanylpentan-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Openeye Name: N-[4-(1-ethyl-1-hydroxy-propyl)thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide CAS Name: N-[4-(3-hydroxypentan-3-yl)-2-thiazolyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide IUPAC Name: N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Traditional Name: N-[4-(1-ethyl-1-hydroxy-propyl)thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CSC(=N1)NS(=O)(=O)C2=CC3=C(CCNC3)C=C2)O

Isomeric SMILES

CCC(CC)(C1=CSC(=N1)NS(=O)(=O)C2=CC3=C(CCNC3)C=C2)O

InChI

InChI=1S/C17H23N3O3S2/c1-3-17(21,4-2)15-11-24-16(19-15)20-25(22,23)14-6-5-12-7-8-18-10-13(12)9-14/h5-6,9,11,18,21H,3-4,7-8,10H2,1-2H3,(H,19,20)