5-(1,1-diphenylpentan-3-yl)-4-methyl-1-(phenylmethyl)sulfonyl-piperidine-2-carboxylate

Systemtic Name: 5-(1,1-diphenylpentan-3-yl)-4-methyl-1-(phenylmethyl)sulfonyl-piperidine-2-carboxylate Openeye Name: 1-benzylsulfonyl-5-(1-ethyl-3,3-diphenyl-propyl)-4-methyl-piperidine-2-carboxylate CAS Name: 5-(1,1-diphenylpentan-3-yl)-4-methyl-1-(phenylmethyl)sulfonyl-2-piperidinecarboxylate IUPAC Name: 1-benzylsulfonyl-5-(1,1-diphenylpentan-3-yl)-4-methylpiperidine-2-carboxylate Traditional Name: 1-benzylsulfonyl-5-(1-ethyl-3,3-diphenyl-propyl)-4-methyl-pipecolinate Formula: C31H36NO4S- MolecularWeight: 518.68684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C1=CC=CC=C1)C2=CC=CC=C2)C3CN(C(CC3C)C(=O)[O-])S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC(CC(C1=CC=CC=C1)C2=CC=CC=C2)C3CN(C(CC3C)C(=O)[O-])S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C31H37NO4S/c1-3-25(20-28(26-15-9-5-10-16-26)27-17-11-6-12-18-27)29-21-32(30(31(33)34)19-23(29)2)37(35,36)22-24-13-7-4-8-14-24/h4-18,23,25,28-30H,3,19-22H2,1-2H3,(H,33,34)/p-1