azepan-1-yl-[1-(1-butan-2-ylbenzotriazol-5-yl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(1-butan-2-ylbenzotriazol-5-yl)sulfonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(1-sec-butylbenzotriazol-5-yl)sulfonyl-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[(1-butan-2-yl-5-benzotriazolyl)sulfonyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(1-butan-2-ylbenzotriazol-5-yl)sulfonylpiperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(1-sec-butylbenzotriazol-5-yl)sulfonyl-4-piperidyl]methanone Formula: C22H33N5O3S MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCCCCC4)N=N1

Isomeric SMILES

CCC(C)N1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCCCCC4)N=N1

InChI

InChI=1S/C22H33N5O3S/c1-3-17(2)27-21-9-8-19(16-20(21)23-24-27)31(29,30)26-14-10-18(11-15-26)22(28)25-12-6-4-5-7-13-25/h8-9,16-18H,3-7,10-15H2,1-2H3