guanidine; 2-hydroxyethylsulfonyl 3-(2-cyanopyrrol-1-yl)benzoate

Systemtic Name: guanidine; 2-hydroxyethylsulfonyl 3-(2-cyanopyrrol-1-yl)benzoate Openeye Name: guanidine; 2-hydroxyethylsulfonyl 3-(2-cyanopyrrol-1-yl)benzoate CAS Name: 3-(2-cyano-1-pyrrolyl)benzoic acid 2-hydroxyethylsulfonyl ester; guanidine IUPAC Name: guanidine; 2-hydroxyethylsulfonyl 3-(2-cyanopyrrol-1-yl)benzoate Traditional Name: 3-(2-cyanopyrrol-1-yl)benzoic acid 2-hydroxyethylsulfonyl ester; guanidine Formula: C15H17N5O5S MolecularWeight: 379.39098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=C2C#N)C(=O)OS(=O)(=O)CCO.C(=N)(N)N

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2C#N)C(=O)OS(=O)(=O)CCO.C(=N)(N)N

InChI

InChI=1S/C14H12N2O5S.CH5N3/c15-10-13-5-2-6-16(13)12-4-1-3-11(9-12)14(18)21-22(19,20)8-7-17;2-1(3)4/h1-6,9,17H,7-8H2;(H5,2,3,4)