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

Systemtic Name: (NE)-N-[[1-(2-azanyl-3-phenyl-propanoyl)-2-phenoxy-4-piperidin-1-yl-piperidin-2-yl]methylidene]benzenesulfonamide Openeye Name: (NE)-N-[[1-(2-amino-3-phenyl-propanoyl)-2-phenoxy-4-(1-piperidyl)-2-piperidyl]methylene]benzenesulfonamide CAS Name: (NE)-N-[[1-(2-amino-1-oxo-3-phenylpropyl)-2-phenoxy-4-(1-piperidinyl)-2-piperidinyl]methylidene]benzenesulfonamide IUPAC Name: (NE)-N-[[1-(2-amino-3-phenylpropanoyl)-2-phenoxy-4-piperidin-1-ylpiperidin-2-yl]methylidene]benzenesulfonamide Traditional Name: (NE)-N-[(2-phenoxy-1-phenylalanyl-4-piperidino-2-piperidyl)methylene]benzenesulfonamide Formula: C32H38N4O4S MolecularWeight: 574.73352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(C(C2)(C=NS(=O)(=O)C3=CC=CC=C3)OC4=CC=CC=C4)C(=O)C(CC5=CC=CC=C5)N

Isomeric SMILES

C1CCN(CC1)C2CCN(C(C2)(/C=N/S(=O)(=O)C3=CC=CC=C3)OC4=CC=CC=C4)C(=O)C(CC5=CC=CC=C5)N

InChI

InChI=1S/C32H38N4O4S/c33-30(23-26-13-5-1-6-14-26)31(37)36-22-19-27(35-20-11-4-12-21-35)24-32(36,40-28-15-7-2-8-16-28)25-34-41(38,39)29-17-9-3-10-18-29/h1-3,5-10,13-18,25,27,30H,4,11-12,19-24,33H2/b34-25+