N-cyclooctyl-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-cyclooctyl-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-cyclooctyl-1-(1-isopropylbenzotriazol-5-yl)sulfonyl-piperidine-3-carboxamide CAS Name: N-cyclooctyl-1-[(1-propan-2-yl-5-benzotriazolyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-cyclooctyl-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-cyclooctyl-1-(1-isopropylbenzotriazol-5-yl)sulfonyl-nipecotamide Formula: C23H35N5O3S MolecularWeight: 461.6207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4CCCCCCC4)N=N1

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NC4CCCCCCC4)N=N1

InChI

InChI=1S/C23H35N5O3S/c1-17(2)28-22-13-12-20(15-21(22)25-26-28)32(30,31)27-14-8-9-18(16-27)23(29)24-19-10-6-4-3-5-7-11-19/h12-13,15,17-19H,3-11,14,16H2,1-2H3,(H,24,29)