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

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxyethanone Traditional Name: 1-(1-allyl-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(N1CC=C)C)C(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2

InChI

InChI=1S/C21H25N5O5S/c1-4-7-25-15(2)12-18(16(25)3)21(27)14-31-26-20-13-17(5-6-19(20)22-23-26)32(28,29)24-8-10-30-11-9-24/h4-6,12-13H,1,7-11,14H2,2-3H3