N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-(2-methoxyethyl)-N-methyl-benzotriazole-5-sulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-(2-methoxyethyl)-N-methyl-benzotriazole-5-sulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-1-(2-methoxyethyl)-N-methyl-benzotriazole-5-sulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-1-(2-methoxyethyl)-N-methyl-5-benzotriazolesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)-N-methylbenzotriazole-5-sulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-1-(2-methoxyethyl)-N-methyl-benzotriazole-5-sulfonamide Formula: C18H27N5O4S MolecularWeight: 409.50308

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC3=C(C=C2)N(N=N3)CCOC

Isomeric SMILES

CN(CC(=O)N1CCCCCC1)S(=O)(=O)C2=CC3=C(C=C2)N(N=N3)CCOC

InChI

InChI=1S/C18H27N5O4S/c1-21(14-18(24)22-9-5-3-4-6-10-22)28(25,26)15-7-8-17-16(13-15)19-20-23(17)11-12-27-2/h7-8,13H,3-6,9-12,14H2,1-2H3