N-[(2S)-3-methylbutan-2-yl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-4-piperidino-3-piperidinosulfonyl-benzamide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)C1=CC(=C(C=C1)N2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-17(2)18(3)23-22(26)19-10-11-20(24-12-6-4-7-13-24)21(16-19)29(27,28)25-14-8-5-9-15-25/h10-11,16-18H,4-9,12-15H2,1-3H3,(H,23,26)/t18-/m0/s1