3-[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide

Systemtic Name: 3-[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Openeye Name: 3-[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide CAS Name: 3-[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethoxy]-N,N-dimethyl-5-benzotriazolesulfonamide IUPAC Name: 3-[2-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]-N,N-dimethylbenzotriazole-5-sulfonamide Traditional Name: 3-[2-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-keto-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3)C

InChI

InChI=1S/C24H27N5O5S/c1-6-33-19-9-7-18(8-10-19)28-16(2)13-21(17(28)3)24(30)15-34-29-23-14-20(35(31,32)27(4)5)11-12-22(23)25-26-29/h7-14H,6,15H2,1-5H3