1-[(3S)-3-methylpiperidin-1-yl]-2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]ethanone

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)amino]ethanone Openeye Name: 2-[2-isopropoxy-5-(1-piperidylsulfonyl)anilino]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyanilino]ethanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyanilino)ethanone Traditional Name: 2-(2-isopropoxy-5-piperidinosulfonyl-anilino)-1-[(3S)-3-methylpiperidino]ethanone Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC(C)C

InChI

InChI=1S/C22H35N3O4S/c1-17(2)29-21-10-9-19(30(27,28)25-12-5-4-6-13-25)14-20(21)23-15-22(26)24-11-7-8-18(3)16-24/h9-10,14,17-18,23H,4-8,11-13,15-16H2,1-3H3/t18-/m0/s1