N-[2-(6-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-N-piperazin-1-yl-benzenesulfonamide

Systemtic Name: N-[2-(6-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-N-piperazin-1-yl-benzenesulfonamide Openeye Name: N-[2-(6-methylisochroman-1-yl)ethyl]-N-piperazin-1-yl-benzenesulfonamide CAS Name: N-[2-(6-methyl-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]-N-(1-piperazinyl)benzenesulfonamide IUPAC Name: N-[2-(6-methyl-3,4-dihydro-1H-isochromen-1-yl)ethyl]-N-piperazin-1-ylbenzenesulfonamide Traditional Name: N-[2-(6-methylisochroman-1-yl)ethyl]-N-piperazino-benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(OCC2)CCN(N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(OCC2)CCN(N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S/c1-18-7-8-21-19(17-18)10-16-28-22(21)9-13-25(24-14-11-23-12-15-24)29(26,27)20-5-3-2-4-6-20/h2-8,17,22-23H,9-16H2,1H3