4-(3,4-dimethoxyphenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(p-tolylmethyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methylbenzyl)-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)CNC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

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