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

Systemtic Name: 2-ethyl-1-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonyl-phenyl]piperazin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-[2-methoxy-5-[(3-methyl-1-piperidyl)sulfonyl]phenyl]piperazin-1-yl]butan-1-one CAS Name: 2-ethyl-1-[4-[2-methoxy-5-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-ethyl-1-[4-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]piperazin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-[2-methoxy-5-(3-methylpiperidino)sulfonyl-phenyl]piperazino]butan-1-one Formula: C23H37N3O4S MolecularWeight: 451.62258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O4S/c1-5-19(6-2)23(27)25-14-12-24(13-15-25)21-16-20(9-10-22(21)30-4)31(28,29)26-11-7-8-18(3)17-26/h9-10,16,18-19H,5-8,11-15,17H2,1-4H3