3-methyl-N-[4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[[2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)acetyl]amino]phenyl]butanamide CAS Name: 3-methyl-N-[4-[[1-oxo-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]ethyl]amino]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[[2-(5-pyrrolidinosulfonyl-2-thienyl)acetyl]amino]phenyl]butyramide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-15(2)13-19(25)22-16-5-7-17(8-6-16)23-20(26)14-18-9-10-21(29-18)30(27,28)24-11-3-4-12-24/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,25)(H,23,26)