[2,4,6-tri(propan-2-yl)phenyl] 2-[(4-methanethioylphenyl)methyl-propan-2-yl-amino]-2-oxidanylidene-ethanesulfonate

Systemtic Name: [2,4,6-tri(propan-2-yl)phenyl] 2-[(4-methanethioylphenyl)methyl-propan-2-yl-amino]-2-oxidanylidene-ethanesulfonate Openeye Name: (2,4,6-triisopropylphenyl) 2-[isopropyl-[(4-methanethioylphenyl)methyl]amino]-2-oxo-ethanesulfonate CAS Name: 2-[(4-methanethioylphenyl)methyl-propan-2-ylamino]-2-oxoethanesulfonic acid [2,4,6-tri(propan-2-yl)phenyl] ester IUPAC Name: [2,4,6-tri(propan-2-yl)phenyl] 2-[(4-methanethioylphenyl)methyl-propan-2-ylamino]-2-oxoethanesulfonate Traditional Name: 2-[isopropyl-(4-thioformylbenzyl)amino]-2-keto-ethanesulfonic acid (2,4,6-triisopropylphenyl) ester Formula: C28H39NO4S2 MolecularWeight: 517.74356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)OS(=O)(=O)CC(=O)N(CC2=CC=C(C=C2)C=S)C(C)C)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)OS(=O)(=O)CC(=O)N(CC2=CC=C(C=C2)C=S)C(C)C)C(C)C

InChI

InChI=1S/C28H39NO4S2/c1-18(2)24-13-25(19(3)4)28(26(14-24)20(5)6)33-35(31,32)17-27(30)29(21(7)8)15-22-9-11-23(16-34)12-10-22/h9-14,16,18-21H,15,17H2,1-8H3