3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxy-N,N-diethyl-benzotriazole-5-sulfonamide

Systemtic Name: 3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]oxy-N,N-diethyl-benzotriazole-5-sulfonamide Openeye Name: 3-[2-(azepan-1-yl)-1-methyl-2-oxo-ethoxy]-N,N-diethyl-benzotriazole-5-sulfonamide CAS Name: 3-[1-(1-azepanyl)-1-oxopropan-2-yl]oxy-N,N-diethyl-5-benzotriazolesulfonamide IUPAC Name: 3-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxy-N,N-diethylbenzotriazole-5-sulfonamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-1-methyl-ethoxy]-N,N-diethyl-benzotriazole-5-sulfonamide Formula: C19H29N5O4S MolecularWeight: 423.52966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H29N5O4S/c1-4-23(5-2)29(26,27)16-10-11-17-18(14-16)24(21-20-17)28-15(3)19(25)22-12-8-6-7-9-13-22/h10-11,14-15H,4-9,12-13H2,1-3H3