4-methylbenzenesulfonate; 1,3,3-trimethyl-2-[(E)-2-(1-thiophen-2-ylcyclopent-3-en-1-yl)ethenyl]-2H-indole

Systemtic Name: 4-methylbenzenesulfonate; 1,3,3-trimethyl-2-[(E)-2-(1-thiophen-2-ylcyclopent-3-en-1-yl)ethenyl]-2H-indole Openeye Name: 4-methylbenzenesulfonate; 1,3,3-trimethyl-2-[(E)-2-[1-(2-thienyl)cyclopent-3-en-1-yl]vinyl]indoline CAS Name: 4-methylbenzenesulfonate; 1,3,3-trimethyl-2-[(E)-2-(1-thiophen-2-yl-1-cyclopent-3-enyl)ethenyl]-2H-indole IUPAC Name: 4-methylbenzenesulfonate; 1,3,3-trimethyl-2-[(E)-2-(1-thiophen-2-ylcyclopent-3-en-1-yl)ethenyl]-2H-indole Traditional Name: 1,3,3-trimethyl-2-[(E)-2-[1-(2-thienyl)cyclopent-3-en-1-yl]vinyl]indoline tosylate Formula: C29H32NO3S2- MolecularWeight: 506.69928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C(N(C2=CC=CC=C21)C)C=CC3(CC=CC3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C(N(C2=CC=CC=C21)C)/C=C/C3(CC=CC3)C4=CC=CS4)C

InChI

InChI=1S/C22H25NS.C7H8O3S/c1-21(2)17-9-4-5-10-18(17)23(3)19(21)12-15-22(13-6-7-14-22)20-11-8-16-24-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-12,15-16,19H,13-14H2,1-3H3;2-5H,1H3,(H,8,9,10)/p-1/b15-12+;