N-(2-tert-butylsulfanylethyl)-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]benzamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]benzamide Openeye Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-N-(2-tert-butylsulfanylethyl)benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]benzamide IUPAC Name: 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(2-tert-butylsulfanylethyl)benzamide Traditional Name: 2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-N-[2-(tert-butylthio)ethyl]benzamide Formula: C27H32N2O4S2 MolecularWeight: 512.68398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H32N2O4S2/c1-27(2,3)34-19-18-28-26(30)24-12-8-9-13-25(24)29(20-21-10-6-5-7-11-21)35(31,32)23-16-14-22(33-4)15-17-23/h5-17H,18-20H2,1-4H3,(H,28,30)