3-acetamido-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3-thiophen-2-yl-propanamide

Systemtic Name: 3-acetamido-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-(4-methyl-3-piperidinosulfonyl-phenyl)-3-(2-thienyl)propionamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(C2=CC=CS2)NC(=O)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC(C2=CC=CS2)NC(=O)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-15-8-9-17(13-20(15)30(27,28)24-10-4-3-5-11-24)23-21(26)14-18(22-16(2)25)19-7-6-12-29-19/h6-9,12-13,18H,3-5,10-11,14H2,1-2H3,(H,22,25)(H,23,26)