3-[1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3-sulfonyl-2H-indol-2-yl]-2,2-dimethyl-propanoic acid; propan-2-ylbenzene

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3-sulfonyl-2H-indol-2-yl]-2,2-dimethyl-propanoic acid; propan-2-ylbenzene Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-isopropyl-3-sulfonyl-indolin-2-yl]-2,2-dimethyl-propanoic acid; cumene CAS Name: 3-[1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3-sulfonyl-2H-indol-2-yl]-2,2-dimethylpropanoic acid; cumene IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3-sulfonyl-2H-indol-2-yl]-2,2-dimethylpropanoic acid; cumene Traditional Name: 3-[1-(4-chlorobenzyl)-5-isopropyl-3-sulfonyl-indolin-2-yl]-2,2-dimethyl-propionic acid; cumene Formula: C32H38ClNO4S MolecularWeight: 568.16642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1.CC(C)C1=CC2=C(C=C1)N(C(C2=S(=O)=O)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1.CC(C)C1=CC2=C(C=C1)N(C(C2=S(=O)=O)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClNO4S.C9H12/c1-14(2)16-7-10-19-18(11-16)21(30(28)29)20(12-23(3,4)22(26)27)25(19)13-15-5-8-17(24)9-6-15;1-8(2)9-6-4-3-5-7-9/h5-11,14,20H,12-13H2,1-4H3,(H,26,27);3-8H,1-2H3