N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O5S/c1-17-5-10-21(30-3)20(15-17)23-22(26)16-24-11-4-12-25(14-13-24)31(27,28)19-8-6-18(29-2)7-9-19/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26)