N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxy-5-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxy-5-methyl-benzenesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxy-5-methyl-benzenesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxy-5-methylbenzenesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]-2-methoxy-5-methyl-benzenesulfonamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C

InChI

InChI=1S/C22H29N3O5S/c1-16-4-6-20(28-3)22(12-16)31(26,27)23-14-18(25-10-8-24(2)9-11-25)17-5-7-19-21(13-17)30-15-29-19/h4-7,12-13,18,23H,8-11,14-15H2,1-3H3/t18-/m1/s1