N-[7-chloranyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-3-oxidanylidene-1H-isoindol-4-yl]-2-(4-methylpiperazin-1-yl)ethanamide

Systemtic Name: N-[7-chloranyl-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-3-oxidanylidene-1H-isoindol-4-yl]-2-(4-methylpiperazin-1-yl)ethanamide Openeye Name: N-[7-chloro-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-3-oxo-isoindolin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide CAS Name: N-[7-chloro-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-1H-isoindol-4-yl]-2-(4-methyl-1-piperazinyl)acetamide IUPAC Name: N-[7-chloro-2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-1H-isoindol-4-yl]-2-(4-methylpiperazin-1-yl)acetamide Traditional Name: N-[7-chloro-2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]-3-keto-isoindolin-4-yl]-2-(4-methylpiperazino)acetamide Formula: C27H35ClN4O6S MolecularWeight: 579.108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2CC3=C(C=CC(=C3C2=O)NC(=O)CN4CCN(CC4)C)Cl)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2CC3=C(C=CC(=C3C2=O)NC(=O)CN4CCN(CC4)C)Cl)OC

InChI

InChI=1S/C27H35ClN4O6S/c1-5-38-24-14-18(6-9-23(24)37-3)22(17-39(4,35)36)32-15-19-20(28)7-8-21(26(19)27(32)34)29-25(33)16-31-12-10-30(2)11-13-31/h6-9,14,22H,5,10-13,15-17H2,1-4H3,(H,29,33)