2-[13-(2-hydroxyethyl)-4-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10,13-triazacyclopentadec-10-yl]ethanol

Systemtic Name: 2-[13-(2-hydroxyethyl)-4-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10,13-triazacyclopentadec-10-yl]ethanol Openeye Name: 2-[13-(2-hydroxyethyl)-4-(p-tolylsulfonyl)-1,7-dioxa-4,10,13-triazacyclopentadec-10-yl]ethanol CAS Name: 2-[13-(2-hydroxyethyl)-4-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10,13-triazacyclopentadec-10-yl]ethanol IUPAC Name: 2-[13-(2-hydroxyethyl)-4-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10,13-triazacyclopentadec-10-yl]ethanol Traditional Name: 2-[13-(2-hydroxyethyl)-4-tosyl-1,7-dioxa-4,10,13-triazacyclopentadec-10-yl]ethanol Formula: C21H37N3O6S MolecularWeight: 459.59998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCOCCN(CCN(CCOCC2)CCO)CCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCOCCN(CCN(CCOCC2)CCO)CCO

InChI

InChI=1S/C21H37N3O6S/c1-20-2-4-21(5-3-20)31(27,28)24-12-18-29-16-10-22(8-14-25)6-7-23(9-15-26)11-17-30-19-13-24/h2-5,25-26H,6-19H2,1H3