N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(2-ethylbutanoylamino)benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(2-ethylbutanoylamino)benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(2-ethylbutanoylamino)benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-[(2-ethyl-1-oxobutyl)amino]benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(2-ethylbutanoylamino)benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(2-ethylbutanoylamino)benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O4S/c1-3-19(4-2)24(29)26-21-11-9-20(10-12-21)25(30)27-22-13-15-23(16-14-22)33(31,32)28-17-7-5-6-8-18-28/h9-16,19H,3-8,17-18H2,1-2H3,(H,26,29)(H,27,30)