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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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