2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-(4-benzylsulfonylpiperazin-1-yl)propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-(4-benzylsulfonylpiperazino)propanoylamino]thiophene-3-carboxamide Formula: C19H24N4O4S2 MolecularWeight: 436.54826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N4O4S2/c1-14(18(25)21-19-16(17(20)24)7-12-28-19)22-8-10-23(11-9-22)29(26,27)13-15-5-3-2-4-6-15/h2-7,12,14H,8-11,13H2,1H3,(H2,20,24)(H,21,25)