[[1-azanyl-2-(4-propan-2-ylphenyl)sulfonyl-ethylidene]amino] 4-tert-butylbenzenesulfonate

Systemtic Name: [[1-azanyl-2-(4-propan-2-ylphenyl)sulfonyl-ethylidene]amino] 4-tert-butylbenzenesulfonate Openeye Name: [[1-amino-2-(4-isopropylphenyl)sulfonyl-ethylidene]amino] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [[1-amino-2-(4-propan-2-ylphenyl)sulfonylethylidene]amino] ester IUPAC Name: [[1-amino-2-(4-propan-2-ylphenyl)sulfonylethylidene]amino] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [(1-amino-2-p-cumenylsulfonyl-ethylidene)amino] ester Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)CC(=NOS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)CC(=NOS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N

InChI

InChI=1S/C21H28N2O5S2/c1-15(2)16-6-10-18(11-7-16)29(24,25)14-20(22)23-28-30(26,27)19-12-8-17(9-13-19)21(3,4)5/h6-13,15H,14H2,1-5H3,(H2,22,23)