N,N-dimethyl-3-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]oxy-benzotriazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-3-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]oxy-benzotriazole-5-sulfonamide Openeye Name: 3-[(1S)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide CAS Name: N,N-dimethyl-3-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]oxy-5-benzotriazolesulfonamide IUPAC Name: 3-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxy-N,N-dimethylbenzotriazole-5-sulfonamide Traditional Name: 3-[(1S)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)ON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)ON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3

InChI

InChI=1S/C23H29N5O4S/c1-17(23(29)27-13-11-19(12-14-27)15-18-7-5-4-6-8-18)32-28-22-16-20(33(30,31)26(2)3)9-10-21(22)24-25-28/h4-10,16-17,19H,11-15H2,1-3H3/t17-/m0/s1