1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(4-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(4-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-4-(p-tolylmethyl)-1,4-diazepane CAS Name: 1-(2,3-dihydrobenzofuran-5-ylsulfonyl)-4-[(4-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-4-[(4-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-coumaran-5-ylsulfonyl-4-(4-methylbenzyl)-1,4-diazepane Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H26N2O3S/c1-17-3-5-18(6-4-17)16-22-10-2-11-23(13-12-22)27(24,25)20-7-8-21-19(15-20)9-14-26-21/h3-8,15H,2,9-14,16H2,1H3