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

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(1S)-2-(3-methoxypropylamino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-2-keto-2-(3-methoxypropylamino)-1-methyl-ethyl]-1-piazthiol-4-ylsulfonyl-isonipecotamide Formula: C19H27N5O5S2 MolecularWeight: 469.57818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O5S2/c1-13(18(25)20-9-4-12-29-2)21-19(26)14-7-10-24(11-8-14)31(27,28)16-6-3-5-15-17(16)23-30-22-15/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,20,25)(H,21,26)/t13-/m0/s1