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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-piazthiol-4-ylsulfonyl-isonipecotamide Formula: C20H29N5O3S2 MolecularWeight: 451.60596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H29N5O3S2/c26-20(21-10-15-24-11-3-1-2-4-12-24)16-8-13-25(14-9-16)30(27,28)18-7-5-6-17-19(18)23-29-22-17/h5-7,16H,1-4,8-15H2,(H,21,26)