azepan-1-yl-[1-[1-(3-methoxypropyl)benzotriazol-5-yl]sulfonylpyrrolidin-2-yl]methanone

Systemtic Name: azepan-1-yl-[1-[1-(3-methoxypropyl)benzotriazol-5-yl]sulfonylpyrrolidin-2-yl]methanone Openeye Name: azepan-1-yl-[1-[1-(3-methoxypropyl)benzotriazol-5-yl]sulfonylpyrrolidin-2-yl]methanone CAS Name: 1-azepanyl-[1-[[1-(3-methoxypropyl)-5-benzotriazolyl]sulfonyl]-2-pyrrolidinyl]methanone IUPAC Name: azepan-1-yl-[1-[1-(3-methoxypropyl)benzotriazol-5-yl]sulfonylpyrrolidin-2-yl]methanone Traditional Name: azepan-1-yl-[1-[1-(3-methoxypropyl)benzotriazol-5-yl]sulfonylpyrrolidin-2-yl]methanone Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)N4CCCCCC4)N=N1

Isomeric SMILES

COCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)N4CCCCCC4)N=N1

InChI

InChI=1S/C21H31N5O4S/c1-30-15-7-13-25-19-10-9-17(16-18(19)22-23-25)31(28,29)26-14-6-8-20(26)21(27)24-11-4-2-3-5-12-24/h9-10,16,20H,2-8,11-15H2,1H3