4-methylbenzenesulfonic acid; 2,2,5,5-tetramethyl-N-[2-(thiophen-2-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; 2,2,5,5-tetramethyl-N-[2-(thiophen-2-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide Openeye Name: 4-methylbenzenesulfonic acid; 2,2,5,5-tetramethyl-N-[2-(2-thienylmethylamino)ethyl]-1H-pyrrole-3-carboxamide CAS Name: 4-methylbenzenesulfonic acid; 2,2,5,5-tetramethyl-N-[2-(thiophen-2-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide IUPAC Name: 4-methylbenzenesulfonic acid; 2,2,5,5-tetramethyl-N-[2-(thiophen-2-ylmethylamino)ethyl]-1H-pyrrole-3-carboxamide Traditional Name: 2,2,5,5-tetramethyl-N-[2-(2-thenylamino)ethyl]-3-pyrroline-3-carboxamide; tosylic acid Formula: C30H41N3O7S3 MolecularWeight: 651.85744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C=C(C(N1)(C)C)C(=O)NCCNCC2=CC=CS2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C=C(C(N1)(C)C)C(=O)NCCNCC2=CC=CS2)C

InChI

InChI=1S/C16H25N3OS.2C7H8O3S/c1-15(2)10-13(16(3,4)19-15)14(20)18-8-7-17-11-12-6-5-9-21-12;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9-10,17,19H,7-8,11H2,1-4H3,(H,18,20);2*2-5H,1H3,(H,8,9,10)