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

Systemtic Name: N-(2-azanylethyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3,5-dimethylisoxazole-4-carbonyl)-4-(2-thienylsulfonyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]-4-thiophen-2-ylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3,5-dimethylisoxazole-4-carbonyl)-4-(2-thienylsulfonyl)piperazine-2-carboxamide Formula: C17H23N5O5S2 MolecularWeight: 441.52502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O5S2/c1-11-15(12(2)27-20-11)17(24)22-8-7-21(10-13(22)16(23)19-6-5-18)29(25,26)14-4-3-9-28-14/h3-4,9,13H,5-8,10,18H2,1-2H3,(H,19,23)