N-[4-(3-methylbutanoylamino)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-methylsulfonyl-indoline-5-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-mesyl-indoline-5-carboxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-14(2)12-20(25)22-17-5-7-18(8-6-17)23-21(26)16-4-9-19-15(13-16)10-11-24(19)29(3,27)28/h4-9,13-14H,10-12H2,1-3H3,(H,22,25)(H,23,26)