(NE)-N-[[1-(2-azanyl-3-phenyl-propanoyl)-2-phenoxy-4-piperidin-1-yl-piperidin-2-yl]methylidene]methanesulfonamide

Systemtic Name: (NE)-N-[[1-(2-azanyl-3-phenyl-propanoyl)-2-phenoxy-4-piperidin-1-yl-piperidin-2-yl]methylidene]methanesulfonamide Openeye Name: (NE)-N-[[1-(2-amino-3-phenyl-propanoyl)-2-phenoxy-4-(1-piperidyl)-2-piperidyl]methylene]methanesulfonamide CAS Name: (NE)-N-[[1-(2-amino-1-oxo-3-phenylpropyl)-2-phenoxy-4-(1-piperidinyl)-2-piperidinyl]methylidene]methanesulfonamide IUPAC Name: (NE)-N-[[1-(2-amino-3-phenylpropanoyl)-2-phenoxy-4-piperidin-1-ylpiperidin-2-yl]methylidene]methanesulfonamide Traditional Name: (NE)-N-[(2-phenoxy-1-phenylalanyl-4-piperidino-2-piperidyl)methylene]methanesulfonamide Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=CC1(CC(CCN1C(=O)C(CC2=CC=CC=C2)N)N3CCCCC3)OC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)/N=C/C1(CC(CCN1C(=O)C(CC2=CC=CC=C2)N)N3CCCCC3)OC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O4S/c1-36(33,34)29-21-27(35-24-13-7-3-8-14-24)20-23(30-16-9-4-10-17-30)15-18-31(27)26(32)25(28)19-22-11-5-2-6-12-22/h2-3,5-8,11-14,21,23,25H,4,9-10,15-20,28H2,1H3/b29-21+