3-azanyl-3-(2-methylpropyl)-2-oxidanyl-2-phenyl-4-(phenylmethyl)-5-(2-pyridin-3-ylethyl)piperazine-1-sulfonamide

Systemtic Name: 3-azanyl-3-(2-methylpropyl)-2-oxidanyl-2-phenyl-4-(phenylmethyl)-5-(2-pyridin-3-ylethyl)piperazine-1-sulfonamide Openeye Name: 3-amino-4-benzyl-2-hydroxy-3-isobutyl-2-phenyl-5-[2-(3-pyridyl)ethyl]piperazine-1-sulfonamide CAS Name: 3-amino-2-hydroxy-3-(2-methylpropyl)-2-phenyl-4-(phenylmethyl)-5-[2-(3-pyridinyl)ethyl]-1-piperazinesulfonamide IUPAC Name: 3-amino-4-benzyl-2-hydroxy-3-(2-methylpropyl)-2-phenyl-5-(2-pyridin-3-ylethyl)piperazine-1-sulfonamide Traditional Name: 3-amino-4-benzyl-2-hydroxy-3-isobutyl-2-phenyl-5-[2-(3-pyridyl)ethyl]piperazine-1-sulfonamide Formula: C28H37N5O3S MolecularWeight: 523.69008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C(N(CC(N1CC2=CC=CC=C2)CCC3=CN=CC=C3)S(=O)(=O)N)(C4=CC=CC=C4)O)N

Isomeric SMILES

CC(C)CC1(C(N(CC(N1CC2=CC=CC=C2)CCC3=CN=CC=C3)S(=O)(=O)N)(C4=CC=CC=C4)O)N

InChI

InChI=1S/C28H37N5O3S/c1-22(2)18-27(29)28(34,25-13-7-4-8-14-25)33(37(30,35)36)21-26(16-15-23-12-9-17-31-19-23)32(27)20-24-10-5-3-6-11-24/h3-14,17,19,22,26,34H,15-16,18,20-21,29H2,1-2H3,(H2,30,35,36)