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

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]piperidine-4-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]-1-piazthiol-4-ylsulfonyl-isonipecotamide Formula: C20H29N5O4S2 MolecularWeight: 467.60536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4S2/c1-13(2)7-10-21-19(26)14(3)22-20(27)15-8-11-25(12-9-15)31(28,29)17-6-4-5-16-18(17)24-30-23-16/h4-6,13-15H,7-12H2,1-3H3,(H,21,26)(H,22,27)/t14-/m0/s1