N-(2-azanylethyl)-1-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(5-methylisoxazole-3-carbonyl)-4-(2-thienylsulfonyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(5-methyl-3-isoxazolyl)-oxomethyl]-4-thiophen-2-ylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(5-methylisoxazole-3-carbonyl)-4-(2-thienylsulfonyl)piperazine-2-carboxamide Formula: C16H21N5O5S2 MolecularWeight: 427.49844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCN(CC2C(=O)NCCN)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCN(CC2C(=O)NCCN)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H21N5O5S2/c1-11-9-12(19-26-11)16(23)21-7-6-20(10-13(21)15(22)18-5-4-17)28(24,25)14-3-2-8-27-14/h2-3,8-9,13H,4-7,10,17H2,1H3,(H,18,22)