5-(azepan-1-ylsulfonyl)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-[(tert-butylamino)-oxomethyl]phenyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methoxy-benzamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C25H33N3O5S/c1-25(2,3)27-24(30)19-11-7-8-12-21(19)26-23(29)20-17-18(13-14-22(20)33-4)34(31,32)28-15-9-5-6-10-16-28/h7-8,11-14,17H,5-6,9-10,15-16H2,1-4H3,(H,26,29)(H,27,30)