tert-butyl 4-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(5-pyrrolidinosulfonyl-2-thienyl)methylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H31N3O5S2/c1-20(2,3)28-19(25)22-12-8-15(9-13-22)18(24)21-14-16-6-7-17(29-16)30(26,27)23-10-4-5-11-23/h6-7,15H,4-5,8-14H2,1-3H3,(H,21,24)