1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[3-(tert-butylamino)-3-oxidanylidene-propyl]piperidine-3-carboxamide

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[3-(tert-butylamino)-3-oxidanylidene-propyl]piperidine-3-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[3-(tert-butylamino)-3-oxo-propyl]piperidine-3-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[3-(tert-butylamino)-3-oxopropyl]-3-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-3-carboxamide Traditional Name: N-[3-(tert-butylamino)-3-keto-propyl]-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C19H27N5O4S2 MolecularWeight: 453.57878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C)(C)NC(=O)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C19H27N5O4S2/c1-19(2,3)21-16(25)9-10-20-18(26)13-6-5-11-24(12-13)30(27,28)15-8-4-7-14-17(15)23-29-22-14/h4,7-8,13H,5-6,9-12H2,1-3H3,(H,20,26)(H,21,25)