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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1-piazthiol-4-ylsulfonyl-isonipecotamide Formula: C24H29N5O3S2 MolecularWeight: 499.64876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C24H29N5O3S2/c30-24(25-19-8-3-4-10-21(19)28-14-5-1-2-6-15-28)18-12-16-29(17-13-18)34(31,32)22-11-7-9-20-23(22)27-33-26-20/h3-4,7-11,18H,1-2,5-6,12-17H2,(H,25,30)