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

Systemtic Name: 1-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]-2-methyl-butan-1-one Openeye Name: 1-[4-[2-methoxy-5-[(3-methyl-1-piperidyl)sulfonyl]phenyl]piperazin-1-yl]-2-methyl-butan-1-one CAS Name: 1-[4-[2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinyl]-2-methyl-1-butanone IUPAC Name: 1-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]piperazin-1-yl]-2-methylbutan-1-one Traditional Name: 1-[4-[2-methoxy-5-(3-methylpiperidino)sulfonyl-phenyl]piperazino]-2-methyl-butan-1-one Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O4S/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/h8-9,15,17-18H,5-7,10-14,16H2,1-4H3