1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-ethanone Formula: C23H25N5O5S2 MolecularWeight: 515.6051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3

InChI

InChI=1S/C23H25N5O5S2/c1-16-12-20(17(2)27(16)14-18-4-3-11-34-18)23(29)15-33-28-22-13-19(5-6-21(22)24-25-28)35(30,31)26-7-9-32-10-8-26/h3-6,11-13H,7-10,14-15H2,1-2H3