[4-[(2-phenylcyclopropyl)carbamoylamino]-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[(2-phenylcyclopropyl)carbamoylamino]-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl] methanesulfonate Openeye Name: [3-[(4-benzyl-1-piperidyl)methyl]-4-[(2-phenylcyclopropyl)carbamoylamino]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[oxo-[(2-phenylcyclopropyl)amino]methyl]amino]-3-[[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl] ester IUPAC Name: [3-[(4-benzylpiperidin-1-yl)methyl]-4-[(2-phenylcyclopropyl)carbamoylamino]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[(4-benzylpiperidino)methyl]-4-[(2-phenylcyclopropyl)carbamoylamino]phenyl] ester Formula: C30H35N3O4S MolecularWeight: 533.6816

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=C(C=C1)NC(=O)NC2CC2C3=CC=CC=C3)CN4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)OC1=CC(=C(C=C1)NC(=O)NC2CC2C3=CC=CC=C3)CN4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H35N3O4S/c1-38(35,36)37-26-12-13-28(31-30(34)32-29-20-27(29)24-10-6-3-7-11-24)25(19-26)21-33-16-14-23(15-17-33)18-22-8-4-2-5-9-22/h2-13,19,23,27,29H,14-18,20-21H2,1H3,(H2,31,32,34)