tert-butyl (3S)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: (3S)-3-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3CCCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O5S2/c1-15-7-8-17(29-15)30(26,27)23-12-10-21(11-13-23)18(24)16-6-5-9-22(14-16)19(25)28-20(2,3)4/h7-8,16H,5-6,9-14H2,1-4H3/t16-/m0/s1