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

Systemtic Name: N-[3-(phenylmethylsulfanyl)propyl]-2-[phenylsulfonyl-(4-propan-2-ylphenyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-isopropyl-anilino]-N-(3-benzylsulfanylpropyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(3-benzylsulfanylpropyl)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(N-besyl-4-isopropyl-anilino)acetamide Formula: C27H32N2O3S2 MolecularWeight: 496.68458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H32N2O3S2/c1-22(2)24-14-16-25(17-15-24)29(34(31,32)26-12-7-4-8-13-26)20-27(30)28-18-9-19-33-21-23-10-5-3-6-11-23/h3-8,10-17,22H,9,18-21H2,1-2H3,(H,28,30)