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

Systemtic Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(4-methylsulfonylphenyl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-mesylbenzyl)-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-33(31,32)23-14-12-21(13-15-23)20-28-16-7-17-29(19-18-28)26(30)27-25-11-6-5-10-24(25)22-8-3-2-4-9-22/h2-6,8-15H,7,16-20H2,1H3,(H,27,30)