4-ethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 4-ethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-ethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-morpholinosulfonyl-benzamide CAS Name: 4-ethyl-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-ethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-ethyl-N-[3-(isobutyrylamino)benzyl]-3-morpholinosulfonyl-benzamide Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)NC(=O)C(C)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)NC(=O)C(C)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C24H31N3O5S/c1-4-19-8-9-20(15-22(19)33(30,31)27-10-12-32-13-11-27)24(29)25-16-18-6-5-7-21(14-18)26-23(28)17(2)3/h5-9,14-15,17H,4,10-13,16H2,1-3H3,(H,25,29)(H,26,28)