tert-butyl 4-[cyclopropylmethyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[cyclopropylmethyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[cyclopropylmethyl-[[6-(4-methylsulfonylphenyl)-3-pyridyl]methyl]amino]piperidine-1-carboxylate CAS Name: 4-[cyclopropylmethyl-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[cyclopropylmethyl-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]methyl]amino]piperidine-1-carboxylate Traditional Name: 4-[cyclopropylmethyl-[[6-(4-mesylphenyl)-3-pyridyl]methyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(CC2CC2)CC3=CN=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(CC2CC2)CC3=CN=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H37N3O4S/c1-27(2,3)34-26(31)29-15-13-23(14-16-29)30(18-20-5-6-20)19-21-7-12-25(28-17-21)22-8-10-24(11-9-22)35(4,32)33/h7-12,17,20,23H,5-6,13-16,18-19H2,1-4H3