(2,5-dimethylfuran-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (2,5-dimethylfuran-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2,5-dimethyl-3-furyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2,5-dimethyl-3-furanyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2,5-dimethylfuran-3-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2,5-dimethyl-3-furyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(OC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(OC(=C3)C)C

InChI

InChI=1S/C19H24N2O4S/c1-14-5-7-17(8-6-14)26(23,24)21-10-4-9-20(11-12-21)19(22)18-13-15(2)25-16(18)3/h5-8,13H,4,9-12H2,1-3H3