N-[(2-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-[(2-methoxyphenyl)methyl]-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-[(2-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-o-anisyl-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3OC

InChI

InChI=1S/C22H29N3O4S/c1-18-8-10-20(11-9-18)30(27,28)25-13-5-12-24(14-15-25)17-22(26)23-16-19-6-3-4-7-21(19)29-2/h3-4,6-11H,5,12-17H2,1-2H3,(H,23,26)