N-[2-(2-methoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[2-(2-methoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[2-(2-methoxyphenoxy)ethyl]-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: N-[2-(2-methoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-[2-(2-methoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-[2-(2-methoxyphenoxy)ethyl]-4-tosyl-1,4-diazepane-1-carboxamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCCOC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCCOC3=CC=CC=C3OC

InChI

InChI=1S/C22H29N3O5S/c1-18-8-10-19(11-9-18)31(27,28)25-14-5-13-24(15-16-25)22(26)23-12-17-30-21-7-4-3-6-20(21)29-2/h3-4,6-11H,5,12-17H2,1-2H3,(H,23,26)