4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethoxy]benzonitrile CAS Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethoxy]benzonitrile 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)COC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O4S/c1-17-3-9-20(10-4-17)29(26,27)24-12-2-11-23(13-14-24)21(25)16-28-19-7-5-18(15-22)6-8-19/h3-10H,2,11-14,16H2,1H3