N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-chloranyl-4-ethoxy-N-ethyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-chloranyl-4-ethoxy-N-ethyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-chloro-4-ethoxy-N-ethyl-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-3-chloro-4-ethoxy-N-ethylbenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3-chloro-4-ethoxy-N-ethylbenzenesulfonamide Traditional Name: 3-chloro-4-ethoxy-N-ethyl-N-[2-keto-2-(4-piperonylpiperazino)ethyl]benzenesulfonamide Formula: C24H30ClN3O6S MolecularWeight: 524.0295

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)OCC)Cl

Isomeric SMILES

CCN(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)OCC)Cl

InChI

InChI=1S/C24H30ClN3O6S/c1-3-28(35(30,31)19-6-8-21(32-4-2)20(25)14-19)16-24(29)27-11-9-26(10-12-27)15-18-5-7-22-23(13-18)34-17-33-22/h5-8,13-14H,3-4,9-12,15-17H2,1-2H3