4-[[[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]thiazol-2-yl]-isopropyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-2-thiazolyl]-propan-2-ylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]thiazol-2-yl]-isopropyl-amino]methyl]benzoic acid Formula: C30H33N3O4S2 MolecularWeight: 563.73072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C30H33N3O4S2/c1-20(2)33(18-21-6-8-23(9-7-21)28(34)35)29-31-27(19-38-29)22-10-14-25(15-11-22)32-39(36,37)26-16-12-24(13-17-26)30(3,4)5/h6-17,19-20,32H,18H2,1-5H3,(H,34,35)