2H-chromen-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: 2H-chromen-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: 2H-chromen-3-yl-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: 2H-1-benzopyran-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: 2H-chromen-3-yl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: 2H-chromen-3-yl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3

InChI

InChI=1S/C22H24N2O4S/c1-17-7-9-20(10-8-17)29(26,27)24-12-4-11-23(13-14-24)22(25)19-15-18-5-2-3-6-21(18)28-16-19/h2-3,5-10,15H,4,11-14,16H2,1H3