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

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-(cyclopropylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]piperidine-4-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(1S)-1-(cyclopropylcarbamoyl)-3-methylsulfanyl-propyl]piperidine-4-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-(cyclopropylamino)-4-(methylthio)-1-oxobutan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-(cyclopropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(cyclopropylcarbamoyl)-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)NC1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CSCC[C@@H](C(=O)NC1CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H27N5O4S3/c1-30-12-9-16(20(27)21-14-5-6-14)22-19(26)13-7-10-25(11-8-13)32(28,29)17-4-2-3-15-18(17)24-31-23-15/h2-4,13-14,16H,5-12H2,1H3,(H,21,27)(H,22,26)/t16-/m0/s1