N-[2-(phenylmethylsulfanyl)ethyl]-2-[[2-(phenylsulfonyl)-4-propan-2-yl-phenyl]amino]ethanamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-2-[[2-(phenylsulfonyl)-4-propan-2-yl-phenyl]amino]ethanamide Openeye Name: 2-[2-(benzenesulfonyl)-4-isopropyl-anilino]-N-(2-benzylsulfanylethyl)acetamide CAS Name: 2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: 2-[2-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(2-benzylsulfanylethyl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(2-besyl-4-isopropyl-anilino)acetamide Formula: C26H30N2O3S2 MolecularWeight: 482.658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)NCC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)NCC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H30N2O3S2/c1-20(2)22-13-14-24(25(17-22)33(30,31)23-11-7-4-8-12-23)28-18-26(29)27-15-16-32-19-21-9-5-3-6-10-21/h3-14,17,20,28H,15-16,18-19H2,1-2H3,(H,27,29)