N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide

Systemtic Name: N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide Openeye Name: N-(2-indolin-1-ylsulfonylethyl)-3-methyl-2-(phenylcarbamoylamino)butanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-methylbutanamide IUPAC Name: N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide Traditional Name: N-(2-indolin-1-ylsulfonylethyl)-3-methyl-2-(phenylcarbamoylamino)butyramide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCS(=O)(=O)N1CCC2=CC=CC=C21)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NCCS(=O)(=O)N1CCC2=CC=CC=C21)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-16(2)20(25-22(28)24-18-9-4-3-5-10-18)21(27)23-13-15-31(29,30)26-14-12-17-8-6-7-11-19(17)26/h3-11,16,20H,12-15H2,1-2H3,(H,23,27)(H2,24,25,28)