N-[4-[2-[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]ethyl]phenyl]azepane-1-sulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NC2=CC=C(C=C2)CCNCC(C3=CN=CC=C3)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NC2=CC=C(C=C2)CCNCC(C3=CN=CC=C3)O

InChI

InChI=1S/C21H30N4O3S/c26-21(19-6-5-12-22-16-19)17-23-13-11-18-7-9-20(10-8-18)24-29(27,28)25-14-3-1-2-4-15-25/h5-10,12,16,21,23-24,26H,1-4,11,13-15,17H2