2-(3,4-dihydro-1H-isochromen-1-yl)ethyl [phenylsulfonyl(piperazin-1-yl)amino]methanesulfonate

Systemtic Name: 2-(3,4-dihydro-1H-isochromen-1-yl)ethyl [phenylsulfonyl(piperazin-1-yl)amino]methanesulfonate Openeye Name: 2-isochroman-1-ylethyl [benzenesulfonyl(piperazin-1-yl)amino]methanesulfonate CAS Name: [benzenesulfonyl(1-piperazinyl)amino]methanesulfonic acid 2-(3,4-dihydro-1H-2-benzopyran-1-yl)ethyl ester IUPAC Name: 2-(3,4-dihydro-1H-isochromen-1-yl)ethyl [benzenesulfonyl(piperazin-1-yl)amino]methanesulfonate Traditional Name: [besyl(piperazino)amino]methanesulfonic acid 2-isochroman-1-ylethyl ester Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CCOS(=O)(=O)CN(N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1COC(C2=CC=CC=C21)CCOS(=O)(=O)CN(N3CCNCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3O6S2/c26-32(27,31-17-11-22-21-9-5-4-6-19(21)10-16-30-22)18-25(24-14-12-23-13-15-24)33(28,29)20-7-2-1-3-8-20/h1-9,22-23H,10-18H2