N-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[3-ethoxy-5-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazin-2-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-[3-ethoxy-5-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazin-2-yl]propanamide Openeye Name: N-[5-[(2-benzyloxyphenyl)methoxymethyl]-3-ethoxy-pyrazin-2-yl]-N-(3-chloro-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanamide CAS Name: N-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-ethoxy-5-[(2-phenylmethoxyphenyl)methoxymethyl]-2-pyrazinyl]propanamide IUPAC Name: N-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[3-ethoxy-5-[(2-phenylmethoxyphenyl)methoxymethyl]pyrazin-2-yl]propanamide Traditional Name: N-[5-[(2-benzoxybenzyl)oxymethyl]-3-ethoxy-pyrazin-2-yl]-N-(3-chloro-4-mesyl-phenyl)-3-cyclopentyl-propionamide Formula: C36H40ClN3O6S MolecularWeight: 678.2373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=CN=C1N(C2=CC(=C(C=C2)S(=O)(=O)C)Cl)C(=O)CCC3CCCC3)COCC4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=NC(=CN=C1N(C2=CC(=C(C=C2)S(=O)(=O)C)Cl)C(=O)CCC3CCCC3)COCC4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C36H40ClN3O6S/c1-3-45-36-35(40(34(41)20-17-26-11-7-8-12-26)30-18-19-33(31(37)21-30)47(2,42)43)38-22-29(39-36)25-44-24-28-15-9-10-16-32(28)46-23-27-13-5-4-6-14-27/h4-6,9-10,13-16,18-19,21-22,26H,3,7-8,11-12,17,20,23-25H2,1-2H3