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

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-(propan-2-ylamino)butan-2-yl]piperidine-4-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(1S)-1-(isopropylcarbamoyl)-3-methylsulfanyl-propyl]piperidine-4-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-4-(methylthio)-1-oxo-1-(propan-2-ylamino)butan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(isopropylcarbamoyl)-3-(methylthio)propyl]-1-piazthiol-4-ylsulfonyl-isonipecotamide Formula: C20H29N5O4S3 MolecularWeight: 499.67036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4S3/c1-13(2)21-20(27)16(9-12-30-3)22-19(26)14-7-10-25(11-8-14)32(28,29)17-6-4-5-15-18(17)24-31-23-15/h4-6,13-14,16H,7-12H2,1-3H3,(H,21,27)(H,22,26)/t16-/m0/s1