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

Systemtic Name: N-[(2S)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide Openeye Name: N-[(2S)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide CAS Name: N-[(2S)-2-(2-chlorophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-1,3-benzodioxole-5-sulfonamide IUPAC Name: N-[(2S)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide Traditional Name: N-[(2S)-2-(2-chlorophenyl)-2-(4-methylpiperazino)ethyl]-1,3-benzodioxole-5-sulfonamide Formula: C20H24ClN3O4S MolecularWeight: 437.94026

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Cl

Isomeric SMILES

CN1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H24ClN3O4S/c1-23-8-10-24(11-9-23)18(16-4-2-3-5-17(16)21)13-22-29(25,26)15-6-7-19-20(12-15)28-14-27-19/h2-7,12,18,22H,8-11,13-14H2,1H3/t18-/m1/s1