1-cyclopropylethyl 4-[methyl-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]methyl]amino]piperidine-1-carboxylate

Systemtic Name: 1-cyclopropylethyl 4-[methyl-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]methyl]amino]piperidine-1-carboxylate Openeye Name: 1-cyclopropylethyl 4-[methyl-[[5-(4-methylsulfonylphenyl)-2-pyridyl]methyl]amino]piperidine-1-carboxylate CAS Name: 4-[methyl-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]amino]-1-piperidinecarboxylic acid 1-cyclopropylethyl ester IUPAC Name: 1-cyclopropylethyl 4-[methyl-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]methyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-(4-mesylphenyl)-2-pyridyl]methyl-methyl-amino]piperidine-1-carboxylic acid 1-cyclopropylethyl ester Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)OC(=O)N2CCC(CC2)N(C)CC3=NC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C1CC1)OC(=O)N2CCC(CC2)N(C)CC3=NC=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H33N3O4S/c1-18(19-4-5-19)32-25(29)28-14-12-23(13-15-28)27(2)17-22-9-6-21(16-26-22)20-7-10-24(11-8-20)33(3,30)31/h6-11,16,18-19,23H,4-5,12-15,17H2,1-3H3