1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-ethanone Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)N=N3

InChI

InChI=1S/C21H25N5O5S/c1-14-11-18(15(2)25(14)16-3-4-16)21(27)13-31-26-20-12-17(5-6-19(20)22-23-26)32(28,29)24-7-9-30-10-8-24/h5-6,11-12,16H,3-4,7-10,13H2,1-2H3