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

Systemtic Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]carbonylphenyl]propane-1-sulfonamide Openeye Name: N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]propane-1-sulfonamide CAS Name: N-[3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]-1-propanesulfonamide IUPAC Name: N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbonyl]phenyl]propane-1-sulfonamide Traditional Name: N-[3-[4-(coumaran-5-ylmethyl)piperazine-1-carbonyl]phenyl]propane-1-sulfonamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-2-14-31(28,29)24-21-5-3-4-20(16-21)23(27)26-11-9-25(10-12-26)17-18-6-7-22-19(15-18)8-13-30-22/h3-7,15-16,24H,2,8-14,17H2,1H3