N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]phenyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[5-(isobutyrylamino)-2-methyl-phenyl]-4-morpholinosulfonyl-benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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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)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H27N3O5S/c1-15(2)21(26)23-18-7-4-16(3)20(14-18)24-22(27)17-5-8-19(9-6-17)31(28,29)25-10-12-30-13-11-25/h4-9,14-15H,10-13H2,1-3H3,(H,23,26)(H,24,27)