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

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[3-oxidanylidene-3-(propan-2-ylamino)propyl]piperidine-3-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[3-(isopropylamino)-3-oxo-propyl]piperidine-3-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxamide Traditional Name: N-[3-(isopropylamino)-3-keto-propyl]-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C18H25N5O4S2 MolecularWeight: 439.5522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4S2/c1-12(2)20-16(24)8-9-19-18(25)13-5-4-10-23(11-13)29(26,27)15-7-3-6-14-17(15)22-28-21-14/h3,6-7,12-13H,4-5,8-11H2,1-2H3,(H,19,25)(H,20,24)