N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-2-(4-ethyl-1-piperazinyl)-2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(2S)-2-(4-ethylpiperazino)-2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4OC

Isomeric SMILES

CCN1CCN(CC1)[C@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H31N3O5S/c1-3-25-10-12-26(13-11-25)20(19-6-4-5-7-21(19)29-2)17-24-32(27,28)18-8-9-22-23(16-18)31-15-14-30-22/h4-9,16,20,24H,3,10-15,17H2,1-2H3/t20-/m1/s1