tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethylidene]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethylidene]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethylidene]piperidine-1-carboxylate CAS Name: 4-[2-[4-(4-methylsulfonylphenyl)-1-piperazinyl]ethylidene]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(4-methylsulfonylphenyl)piperazin-1-yl]ethylidene]piperidine-1-carboxylate Traditional Name: 4-[2-[4-(4-mesylphenyl)piperazino]ethylidene]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CCN2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C)CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=CCN2CCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C)CC1

InChI

InChI=1S/C23H35N3O4S/c1-23(2,3)30-22(27)26-13-10-19(11-14-26)9-12-24-15-17-25(18-16-24)20-5-7-21(8-6-20)31(4,28)29/h5-9H,10-18H2,1-4H3