3-azanyl-3-ethyl-2-oxidanyl-2-phenyl-4-(2-pyridin-3-ylethyl)azepane-1-sulfonamide

Systemtic Name: 3-azanyl-3-ethyl-2-oxidanyl-2-phenyl-4-(2-pyridin-3-ylethyl)azepane-1-sulfonamide Openeye Name: 3-amino-3-ethyl-2-hydroxy-2-phenyl-4-[2-(3-pyridyl)ethyl]azepane-1-sulfonamide CAS Name: 3-amino-3-ethyl-2-hydroxy-2-phenyl-4-[2-(3-pyridinyl)ethyl]-1-azepanesulfonamide IUPAC Name: 3-amino-3-ethyl-2-hydroxy-2-phenyl-4-(2-pyridin-3-ylethyl)azepane-1-sulfonamide Traditional Name: 3-amino-3-ethyl-2-hydroxy-2-phenyl-4-[2-(3-pyridyl)ethyl]azepane-1-sulfonamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(CCCN(C1(C2=CC=CC=C2)O)S(=O)(=O)N)CCC3=CN=CC=C3)N

Isomeric SMILES

CCC1(C(CCCN(C1(C2=CC=CC=C2)O)S(=O)(=O)N)CCC3=CN=CC=C3)N

InChI

InChI=1S/C21H30N4O3S/c1-2-20(22)18(13-12-17-8-6-14-24-16-17)11-7-15-25(29(23,27)28)21(20,26)19-9-4-3-5-10-19/h3-6,8-10,14,16,18,26H,2,7,11-13,15,22H2,1H3,(H2,23,27,28)