N-[3-(azepan-1-yl)propyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C21H31N5O3S2 MolecularWeight: 465.63254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H31N5O3S2/c27-21(22-11-7-14-25-12-3-1-2-4-13-25)17-8-6-15-26(16-17)31(28,29)19-10-5-9-18-20(19)24-30-23-18/h5,9-10,17H,1-4,6-8,11-16H2,(H,22,27)