2-(1,2-benzoxazol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-indoxazen-3-yl-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O4S/c1-16-7-9-17(10-8-16)29(26,27)24-12-4-11-23(13-14-24)21(25)15-19-18-5-2-3-6-20(18)28-22-19/h2-3,5-10H,4,11-15H2,1H3