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

Systemtic Name: N,N-dimethyl-3-[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-benzotriazole-5-sulfonamide Openeye Name: N,N-dimethyl-3-[(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzotriazole-5-sulfonamide CAS Name: N,N-dimethyl-3-[(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]oxy-5-benzotriazolesulfonamide IUPAC Name: N,N-dimethyl-3-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxybenzotriazole-5-sulfonamide Traditional Name: 3-[(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)ON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)ON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3

InChI

InChI=1S/C21H26N6O4S/c1-16(21(28)26-13-11-25(12-14-26)17-7-5-4-6-8-17)31-27-20-15-18(32(29,30)24(2)3)9-10-19(20)22-23-27/h4-10,15-16H,11-14H2,1-3H3/t16-/m0/s1