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

Systemtic Name: 2-[(3-methoxyphenyl)methoxy]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(3-methoxyphenyl)methoxy]-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(3-methoxyphenyl)methoxy]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-[(3-methoxyphenyl)methoxy]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-m-anisyloxy-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COCC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N2O5S/c1-18-7-9-21(10-8-18)30(26,27)24-12-4-11-23(13-14-24)22(25)17-29-16-19-5-3-6-20(15-19)28-2/h3,5-10,15H,4,11-14,16-17H2,1-2H3