4-methyl-2-[[2-(phenylmethyl)-3-piperazin-1-ylsulfonyl-propanoyl]amino]pentanamide

Systemtic Name: 4-methyl-2-[[2-(phenylmethyl)-3-piperazin-1-ylsulfonyl-propanoyl]amino]pentanamide Openeye Name: 2-[(2-benzyl-3-piperazin-1-ylsulfonyl-propanoyl)amino]-4-methyl-pentanamide CAS Name: 4-methyl-2-[[1-oxo-2-(phenylmethyl)-3-(1-piperazinylsulfonyl)propyl]amino]pentanamide IUPAC Name: 2-[(2-benzyl-3-piperazin-1-ylsulfonylpropanoyl)amino]-4-methylpentanamide Traditional Name: 2-[(2-benzyl-3-piperazinosulfonyl-propanoyl)amino]-4-methyl-valeramide Formula: C20H32N4O4S MolecularWeight: 424.55748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCNCC2

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)N2CCNCC2

InChI

InChI=1S/C20H32N4O4S/c1-15(2)12-18(19(21)25)23-20(26)17(13-16-6-4-3-5-7-16)14-29(27,28)24-10-8-22-9-11-24/h3-7,15,17-18,22H,8-14H2,1-2H3,(H2,21,25)(H,23,26)