(2S)-N-[(2S)-butan-2-yl]-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-butan-2-yl]-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-methylpropyl]-1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-butan-2-yl]-1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-butan-2-yl]-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-methylpropyl]-1-(1-tosylisonipecotoyl)pyrrolidine-2-carboxamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1CCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H33N3O4S/c1-4-17(3)23-21(26)20-6-5-13-25(20)22(27)18-11-14-24(15-12-18)30(28,29)19-9-7-16(2)8-10-19/h7-10,17-18,20H,4-6,11-15H2,1-3H3,(H,23,26)/t17-,20-/m0/s1