N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-2-[phenylsulfonyl-(4-propan-2-ylphenyl)amino]ethanamide

Systemtic Name: N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-2-[phenylsulfonyl-(4-propan-2-ylphenyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-isopropyl-anilino]-N-[3-(m-tolylmethylsulfanyl)propyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-[(3-methylphenyl)methylthio]propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide Traditional Name: 2-(N-besyl-4-isopropyl-anilino)-N-[3-[(3-methylbenzyl)thio]propyl]acetamide Formula: C28H34N2O3S2 MolecularWeight: 510.71116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCCNC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CSCCCNC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H34N2O3S2/c1-22(2)25-13-15-26(16-14-25)30(35(32,33)27-11-5-4-6-12-27)20-28(31)29-17-8-18-34-21-24-10-7-9-23(3)19-24/h4-7,9-16,19,22H,8,17-18,20-21H2,1-3H3,(H,29,31)