(E)-1-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]-2-methyl-but-2-en-1-one

Systemtic Name: (E)-1-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]-2-methyl-but-2-en-1-one Openeye Name: (E)-1-[4-[2-methoxy-5-[(3-methyl-1-piperidyl)sulfonyl]phenyl]piperazin-1-yl]-2-methyl-but-2-en-1-one CAS Name: (E)-1-[4-[2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinyl]-2-methyl-2-buten-1-one IUPAC Name: (E)-1-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]piperazin-1-yl]-2-methylbut-2-en-1-one Traditional Name: (E)-1-[4-[2-methoxy-5-(3-methylpiperidino)sulfonyl-phenyl]piperazino]-2-methyl-but-2-en-1-one Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC(C3)C)OC

Isomeric SMILES

C/C=C(\C)/C(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC(C3)C)OC

InChI

InChI=1S/C22H33N3O4S/c1-5-18(3)22(26)24-13-11-23(12-14-24)20-15-19(8-9-21(20)29-4)30(27,28)25-10-6-7-17(2)16-25/h5,8-9,15,17H,6-7,10-14,16H2,1-4H3/b18-5+