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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-(butylcarbamoyl)phenyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-(butylcarbamoyl)phenyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-[butylamino(oxo)methyl]phenyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-(butylcarbamoyl)phenyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-(butylcarbamoyl)phenyl]-2-methyl-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C25H33N3O4S/c1-3-4-15-26-24(29)21-11-7-8-12-23(21)27-25(30)22-18-20(14-13-19(22)2)33(31,32)28-16-9-5-6-10-17-28/h7-8,11-14,18H,3-6,9-10,15-17H2,1-2H3,(H,26,29)(H,27,30)