N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylphenyl]ethanesulfonamide

Systemtic Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylphenyl]ethanesulfonamide Openeye Name: N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]ethanesulfonamide CAS Name: N-[3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]ethanesulfonamide IUPAC Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]ethanesulfonamide Traditional Name: N-[3-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]phenyl]ethanesulfonamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CCS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H27N3O4S/c1-2-30(27,28)23-20-5-3-4-19(15-20)22(26)25-11-9-24(10-12-25)16-17-6-7-21-18(14-17)8-13-29-21/h3-7,14-15,23H,2,8-13,16H2,1H3