N-(4-methoxy-2-methyl-phenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-methoxy-2-methyl-phenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-methoxy-2-methyl-phenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-methoxy-2-methylphenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-methoxy-2-methylphenyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-mesylbenzyl)-N-(4-methoxy-2-methyl-phenyl)-1,4-diazepane-1-carboxamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O4S/c1-17-15-19(29-2)7-10-21(17)23-22(26)25-12-4-11-24(13-14-25)16-18-5-8-20(9-6-18)30(3,27)28/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26)