N-[4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]phenyl]sulfonylethanamide

Systemtic Name: N-[4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]phenyl]sulfonylethanamide Openeye Name: N-[4-[4-(2-isochroman-1-ylethyl)piperazin-1-yl]phenyl]sulfonylacetamide CAS Name: N-[4-[4-[2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-1-piperazinyl]phenyl]sulfonylacetamide IUPAC Name: N-[4-[4-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]piperazin-1-yl]phenyl]sulfonylacetamide Traditional Name: N-[4-[4-(2-isochroman-1-ylethyl)piperazino]phenyl]sulfonylacetamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)CCC3C4=CC=CC=C4CCO3

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)CCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C23H29N3O4S/c1-18(27)24-31(28,29)21-8-6-20(7-9-21)26-15-13-25(14-16-26)12-10-23-22-5-3-2-4-19(22)11-17-30-23/h2-9,23H,10-17H2,1H3,(H,24,27)