6-chloranyl-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxidanylidene-1H-isoindole-5-sulfonamide

Systemtic Name: 6-chloranyl-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxidanylidene-1H-isoindole-5-sulfonamide Openeye Name: 6-chloro-2-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]-3-oxo-isoindoline-5-sulfonamide CAS Name: 6-chloro-2-[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]-3-oxo-1H-isoindole-5-sulfonamide IUPAC Name: 6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindole-5-sulfonamide Traditional Name: 6-chloro-3-keto-2-(1-p-anisyl-4-piperidyl)isoindoline-5-sulfonamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCC(CC2)N3CC4=CC(=C(C=C4C3=O)S(=O)(=O)N)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC(CC2)N3CC4=CC(=C(C=C4C3=O)S(=O)(=O)N)Cl

InChI

InChI=1S/C21H24ClN3O4S/c1-29-17-4-2-14(3-5-17)12-24-8-6-16(7-9-24)25-13-15-10-19(22)20(30(23,27)28)11-18(15)21(25)26/h2-5,10-11,16H,6-9,12-13H2,1H3,(H2,23,27,28)