1-[3-(2-azanyl-1-cyano-2-methyl-propyl)-2-chloranyl-naphthalen-1-yl]-2-oxidanyl-1-phenoxy-N-[1-(phenylmethyl)cyclopropyl]propane-1-sulfonamide

Systemtic Name: 1-[3-(2-azanyl-1-cyano-2-methyl-propyl)-2-chloranyl-naphthalen-1-yl]-2-oxidanyl-1-phenoxy-N-[1-(phenylmethyl)cyclopropyl]propane-1-sulfonamide Openeye Name: 1-[3-(2-amino-1-cyano-2-methyl-propyl)-2-chloro-1-naphthyl]-N-(1-benzylcyclopropyl)-2-hydroxy-1-phenoxy-propane-1-sulfonamide CAS Name: 1-[3-(2-amino-1-cyano-2-methylpropyl)-2-chloro-1-naphthalenyl]-2-hydroxy-1-phenoxy-N-[1-(phenylmethyl)cyclopropyl]-1-propanesulfonamide IUPAC Name: 1-[3-(2-amino-1-cyano-2-methylpropyl)-2-chloronaphthalen-1-yl]-N-(1-benzylcyclopropyl)-2-hydroxy-1-phenoxypropane-1-sulfonamide Traditional Name: 1-[3-(2-amino-1-cyano-2-methyl-propyl)-2-chloro-1-naphthyl]-N-(1-benzylcyclopropyl)-2-hydroxy-1-phenoxy-propane-1-sulfonamide Formula: C34H36ClN3O4S MolecularWeight: 618.18534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=C(C(=CC2=CC=CC=C21)C(C#N)C(C)(C)N)Cl)(OC3=CC=CC=C3)S(=O)(=O)NC4(CC4)CC5=CC=CC=C5)O

Isomeric SMILES

CC(C(C1=C(C(=CC2=CC=CC=C21)C(C#N)C(C)(C)N)Cl)(OC3=CC=CC=C3)S(=O)(=O)NC4(CC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C34H36ClN3O4S/c1-23(39)34(42-26-15-8-5-9-16-26,43(40,41)38-33(18-19-33)21-24-12-6-4-7-13-24)30-27-17-11-10-14-25(27)20-28(31(30)35)29(22-36)32(2,3)37/h4-17,20,23,29,38-39H,18-19,21,37H2,1-3H3