3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide CAS Name: 3-[2-(1-azepanyl)-2-oxoethoxy]-N,N-dimethyl-5-benzotriazolesulfonamide IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethoxy]-N,N-dimethylbenzotriazole-5-sulfonamide Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)N3CCCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)N3CCCCCC3

InChI

InChI=1S/C16H23N5O4S/c1-19(2)26(23,24)13-7-8-14-15(11-13)21(18-17-14)25-12-16(22)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3