N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-chloranyl-phenyl]ethanamide

Systemtic Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-chloranyl-phenyl]ethanamide Openeye Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-chloro-phenyl]acetamide CAS Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-2-chlorophenyl]acetamide IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-chlorophenyl]acetamide Traditional Name: N-[2-chloro-4-(4-piperonylpiperazino)sulfonyl-phenyl]acetamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-14(25)22-18-4-3-16(11-17(18)21)30(26,27)24-8-6-23(7-9-24)12-15-2-5-19-20(10-15)29-13-28-19/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,25)