N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methyl-1-piperazinyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazino)ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCN(CC1)[C@@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H27N3O5S/c1-23-9-11-24(12-10-23)19(16-3-5-17(27-2)6-4-16)14-22-30(25,26)18-7-8-20-21(13-18)29-15-28-20/h3-8,13,19,22H,9-12,14-15H2,1-2H3/t19-/m0/s1