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

Systemtic Name: benzenesulfonic acid; 1-[(1S)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea Openeye Name: benzenesulfonic acid; 1-[(1S)-5-tert-butylindan-1-yl]-3-(1H-indazol-4-yl)urea CAS Name: benzenesulfonic acid; 1-[(1S)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea IUPAC Name: benzenesulfonic acid; 1-[(1S)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea Traditional Name: besylic acid; 1-[(1S)-5-tert-butylindan-1-yl]-3-(1H-indazol-4-yl)urea Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26);1-5H,(H,7,8,9)/t18-;/m0./s1