N-[4-(3-methylbutanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(isovalerylamino)phenyl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O4S/c1-16(2)15-21(26)23-18-7-9-19(10-8-18)24-22(27)17-5-11-20(12-6-17)30(28,29)25-13-3-4-14-25/h5-12,16H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)