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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-piazthiol-4-ylsulfonyl-pyrrolidine-2-carboxamide Formula: C19H27N5O3S2 MolecularWeight: 437.57938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H27N5O3S2/c25-19(20-10-14-23-11-3-1-2-4-12-23)16-8-6-13-24(16)29(26,27)17-9-5-7-15-18(17)22-28-21-15/h5,7,9,16H,1-4,6,8,10-14H2,(H,20,25)