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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-4-methoxy-phenyl]ethanamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-4-methoxy-phenyl]acetamide CAS Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-4-methoxyphenyl]acetamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-4-methoxyphenyl]acetamide Traditional Name: N-[4-methoxy-3-(4-piperonylpiperazino)sulfonyl-phenyl]acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-15(25)22-17-4-6-19(28-2)21(12-17)31(26,27)24-9-7-23(8-10-24)13-16-3-5-18-20(11-16)30-14-29-18/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,25)