4-chloranyl-N-[4-(2-methylpropanoylamino)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[4-(2-methylpropanoylamino)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[4-(2-methylpropanoylamino)phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[4-(2-methylpropanoylamino)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[4-(isobutyrylamino)phenyl]-3-pyrrolidinosulfonyl-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c1-14(2)20(26)23-16-6-8-17(9-7-16)24-21(27)15-5-10-18(22)19(13-15)30(28,29)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,26)(H,24,27)