1-[(1S)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[(1S)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea; 4-methylbenzenesulfonic acid Openeye Name: 1-[(1S)-5-tert-butylindan-1-yl]-3-(1H-indazol-4-yl)urea; 4-methylbenzenesulfonic acid CAS Name: 1-[(1S)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea; 4-methylbenzenesulfonic acid IUPAC Name: 1-[(1S)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea; 4-methylbenzenesulfonic acid Traditional Name: 1-[(1S)-5-tert-butylindan-1-yl]-3-(1H-indazol-4-yl)urea; tosylic acid Formula: C28H32N4O4S MolecularWeight: 520.64308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)C1=CC2=C(C=C1)C(CC2)NC(=O)NC3=CC=CC4=C3C=NN4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)C1=CC2=C(C=C1)[C@H](CC2)NC(=O)NC3=CC=CC4=C3C=NN4

InChI

InChI=1S/C21H24N4O.C7H8O3S/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26);2-5H,1H3,(H,8,9,10)/t18-;/m0./s1