tert-butyl 2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[4-methyl-3-(1-piperidylsulfonyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-methyl-3-(1-piperidinylsulfonyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(4-methyl-3-piperidinosulfonyl-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)OC(C)(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)OC(C)(C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H33N3O5S/c1-16-10-11-17(15-19(16)31(28,29)24-12-6-5-7-13-24)23-20(26)18-9-8-14-25(18)21(27)30-22(2,3)4/h10-11,15,18H,5-9,12-14H2,1-4H3,(H,23,26)