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

Systemtic Name: 3-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]-N,N-diethyl-benzotriazole-5-sulfonamide Openeye Name: 3-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]-N,N-diethyl-benzotriazole-5-sulfonamide CAS Name: 3-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethoxy]-N,N-diethyl-5-benzotriazolesulfonamide IUPAC Name: 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]-N,N-diethylbenzotriazole-5-sulfonamide Traditional Name: 3-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]-N,N-diethyl-benzotriazole-5-sulfonamide Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)C3=C(N(C(=C3)C)CC4=CC=CC=C4)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)C3=C(N(C(=C3)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H29N5O4S/c1-5-28(6-2)35(32,33)21-12-13-23-24(15-21)30(27-26-23)34-17-25(31)22-14-18(3)29(19(22)4)16-20-10-8-7-9-11-20/h7-15H,5-6,16-17H2,1-4H3