2-methoxy-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 2-methoxy-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 2-methoxy-N-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]benzamide CAS Name: 2-methoxy-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzamide IUPAC Name: 2-methoxy-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]-2-methoxy-benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H27N3O5S/c1-17-8-10-18(11-9-17)31(28,29)25-13-5-12-24(14-15-25)21(26)16-23-22(27)19-6-3-4-7-20(19)30-2/h3-4,6-11H,5,12-16H2,1-2H3,(H,23,27)