4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-tert-butyl-benzamide

Systemtic Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-tert-butyl-benzamide Openeye Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-tert-butyl-benzamide CAS Name: 4-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]-N-tert-butylbenzamide IUPAC Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-tert-butylbenzamide Traditional Name: 4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-tert-butyl-benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C26H35N3O4S/c1-26(2,3)28-25(31)21-11-13-22(14-12-21)27-24(30)17-10-20-8-15-23(16-9-20)34(32,33)29-18-6-4-5-7-19-29/h8-9,11-16H,4-7,10,17-19H2,1-3H3,(H,27,30)(H,28,31)