(2S)-N-(cyanomethyl)-4-methyl-2-[[4-(4-methylsulfonylpiperazin-1-yl)carbonylphenyl]-phenyl-methoxy]pentanamide

Systemtic Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[4-(4-methylsulfonylpiperazin-1-yl)carbonylphenyl]-phenyl-methoxy]pentanamide Openeye Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]-phenyl-methoxy]pentanamide CAS Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[4-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]phenyl]-phenylmethoxy]pentanamide IUPAC Name: (2S)-N-(cyanomethyl)-4-methyl-2-[[4-(4-methylsulfonylpiperazine-1-carbonyl)phenyl]-phenylmethoxy]pentanamide Traditional Name: (2S)-N-(cyanomethyl)-2-[[4-(4-mesylpiperazine-1-carbonyl)phenyl]-phenyl-methoxy]-4-methyl-valeramide Formula: C27H34N4O5S MolecularWeight: 526.64766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C27H34N4O5S/c1-20(2)19-24(26(32)29-14-13-28)36-25(21-7-5-4-6-8-21)22-9-11-23(12-10-22)27(33)30-15-17-31(18-16-30)37(3,34)35/h4-12,20,24-25H,14-19H2,1-3H3,(H,29,32)/t24-,25?/m0/s1