1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(allylcarbamoyl)-3-methylsulfanyl-propyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-4-(methylthio)-1-oxo-1-(prop-2-enylamino)butan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(allylcarbamoyl)-3-(methylthio)propyl]-1-piazthiol-4-ylsulfonyl-isonipecotamide Formula: C20H27N5O4S3 MolecularWeight: 497.65448

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC=C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CSCC[C@@H](C(=O)NCC=C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C20H27N5O4S3/c1-3-10-21-20(27)16(9-13-30-2)22-19(26)14-7-11-25(12-8-14)32(28,29)17-6-4-5-15-18(17)24-31-23-15/h3-6,14,16H,1,7-13H2,2H3,(H,21,27)(H,22,26)/t16-/m0/s1