N,N-dimethyl-3-[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]oxy-benzotriazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-3-[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]oxy-benzotriazole-5-sulfonamide Openeye Name: N,N-dimethyl-3-[(1R)-1-methyl-2-oxo-2-(1-piperidyl)ethoxy]benzotriazole-5-sulfonamide CAS Name: N,N-dimethyl-3-[(2R)-1-oxo-1-(1-piperidinyl)propan-2-yl]oxy-5-benzotriazolesulfonamide IUPAC Name: N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide Traditional Name: 3-[(1R)-2-keto-1-methyl-2-piperidino-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)ON2C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N=N2

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)ON2C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N=N2

InChI

InChI=1S/C16H23N5O4S/c1-12(16(22)20-9-5-4-6-10-20)25-21-15-11-13(26(23,24)19(2)3)7-8-14(15)17-18-21/h7-8,11-12H,4-6,9-10H2,1-3H3/t12-/m1/s1