(2S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]pentanamide

Systemtic Name: (2S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]pentanamide Openeye Name: (2S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-(1-piperidylsulfonyl)phenyl]pentanamide CAS Name: (2S)-2-methyl-N-[2-(4-methyl-1-piperazinyl)-5-(1-piperidinylsulfonyl)phenyl]pentanamide IUPAC Name: (2S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]pentanamide Traditional Name: (2S)-2-methyl-N-[2-(4-methylpiperazino)-5-piperidinosulfonyl-phenyl]valeramide Formula: C22H36N4O3S MolecularWeight: 436.61124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCN(CC3)C

Isomeric SMILES

CCC[C@H](C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCN(CC3)C

InChI

InChI=1S/C22H36N4O3S/c1-4-8-18(2)22(27)23-20-17-19(30(28,29)26-11-6-5-7-12-26)9-10-21(20)25-15-13-24(3)14-16-25/h9-10,17-18H,4-8,11-16H2,1-3H3,(H,23,27)/t18-/m0/s1