3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[5-(isobutyrylamino)-2-methyl-phenyl]-4-methoxy-benzamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O5S/c1-17(2)24(29)26-20-11-9-18(3)21(16-20)27-25(30)19-10-12-22(33-4)23(15-19)34(31,32)28-13-7-5-6-8-14-28/h9-12,15-17H,5-8,13-14H2,1-4H3,(H,26,29)(H,27,30)