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

Systemtic Name: azepan-1-yl-[1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpyrrolidin-2-yl]methanone Openeye Name: azepan-1-yl-[1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpyrrolidin-2-yl]methanone CAS Name: 1-azepanyl-[1-[[1-(2-methoxyethyl)-5-benzotriazolyl]sulfonyl]-2-pyrrolidinyl]methanone IUPAC Name: azepan-1-yl-[1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpyrrolidin-2-yl]methanone Traditional Name: azepan-1-yl-[1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpyrrolidin-2-yl]methanone Formula: C20H29N5O4S MolecularWeight: 435.54036

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)N4CCCCCC4)N=N1

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)N4CCCCCC4)N=N1

InChI

InChI=1S/C20H29N5O4S/c1-29-14-13-24-18-9-8-16(15-17(18)21-22-24)30(27,28)25-12-6-7-19(25)20(26)23-10-4-2-3-5-11-23/h8-9,15,19H,2-7,10-14H2,1H3