3-[(1-phenylindazol-4-yl)amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[(1-phenylindazol-4-yl)amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[(1-phenylindazol-4-yl)amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[(1-phenyl-4-indazolyl)amino]propyl ester IUPAC Name: 3-[(1-phenylindazol-4-yl)amino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[(1-phenylindazol-4-yl)amino]propyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCNC2=CC=CC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCNC2=CC=CC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-18-11-13-20(14-12-18)30(27,28)29-16-6-15-24-22-9-5-10-23-21(22)17-25-26(23)19-7-3-2-4-8-19/h2-5,7-14,17,24H,6,15-16H2,1H3