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

Systemtic Name: 3-azanyl-3-(2-methylpropyl)-2-oxidanyl-2-phenyl-4-(2-pyridin-3-ylethyl)piperazine-1-sulfonamide Openeye Name: 3-amino-2-hydroxy-3-isobutyl-2-phenyl-4-[2-(3-pyridyl)ethyl]piperazine-1-sulfonamide CAS Name: 3-amino-2-hydroxy-3-(2-methylpropyl)-2-phenyl-4-[2-(3-pyridinyl)ethyl]-1-piperazinesulfonamide IUPAC Name: 3-amino-2-hydroxy-3-(2-methylpropyl)-2-phenyl-4-(2-pyridin-3-ylethyl)piperazine-1-sulfonamide Traditional Name: 3-amino-2-hydroxy-3-isobutyl-2-phenyl-4-[2-(3-pyridyl)ethyl]piperazine-1-sulfonamide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C(N(CCN1CCC2=CN=CC=C2)S(=O)(=O)N)(C3=CC=CC=C3)O)N

Isomeric SMILES

CC(C)CC1(C(N(CCN1CCC2=CN=CC=C2)S(=O)(=O)N)(C3=CC=CC=C3)O)N

InChI

InChI=1S/C21H31N5O3S/c1-17(2)15-20(22)21(27,19-8-4-3-5-9-19)26(30(23,28)29)14-13-25(20)12-10-18-7-6-11-24-16-18/h3-9,11,16-17,27H,10,12-15,22H2,1-2H3,(H2,23,28,29)