(E)-5-azanyl-N,5-dimethyl-N-[1-[4-methylsulfonyl-2-(phenylmethyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]hex-2-enamide

Systemtic Name: (E)-5-azanyl-N,5-dimethyl-N-[1-[4-methylsulfonyl-2-(phenylmethyl)piperazin-1-yl]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]hex-2-enamide Openeye Name: (E)-5-amino-N-[2-(2-benzyl-4-methylsulfonyl-piperazin-1-yl)-1-(2-naphthylmethyl)-2-oxo-ethyl]-N,5-dimethyl-hex-2-enamide CAS Name: (E)-5-amino-N,5-dimethyl-N-[1-[4-methylsulfonyl-2-(phenylmethyl)-1-piperazinyl]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-2-hexenamide IUPAC Name: (E)-5-amino-N-[1-(2-benzyl-4-methylsulfonylpiperazin-1-yl)-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide Traditional Name: (E)-5-amino-N-[2-(2-benzyl-4-mesyl-piperazino)-2-keto-1-(2-naphthylmethyl)ethyl]-N,5-dimethyl-hex-2-enamide Formula: C33H42N4O4S MolecularWeight: 590.77598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N3CCN(CC3CC4=CC=CC=C4)S(=O)(=O)C)N

Isomeric SMILES

CC(C)(C/C=C/C(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N3CCN(CC3CC4=CC=CC=C4)S(=O)(=O)C)N

InChI

InChI=1S/C33H42N4O4S/c1-33(2,34)18-10-15-31(38)35(3)30(23-26-16-17-27-13-8-9-14-28(27)21-26)32(39)37-20-19-36(42(4,40)41)24-29(37)22-25-11-6-5-7-12-25/h5-17,21,29-30H,18-20,22-24,34H2,1-4H3/b15-10+