N-[5-[2-[[2-methyl-4-(4-phenylimidazol-1-yl)butan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]quinoline-8-sulfonamide

Systemtic Name: N-[5-[2-[[2-methyl-4-(4-phenylimidazol-1-yl)butan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]quinoline-8-sulfonamide Openeye Name: N-[5-[2-[[1,1-dimethyl-3-(4-phenylimidazol-1-yl)propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]quinoline-8-sulfonamide CAS Name: N-[2-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(4-phenyl-1-imidazolyl)butan-2-yl]amino]ethyl]phenyl]-8-quinolinesulfonamide IUPAC Name: N-[2-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(4-phenylimidazol-1-yl)butan-2-yl]amino]ethyl]phenyl]quinoline-8-sulfonamide Traditional Name: N-[5-[2-[[1,1-dimethyl-3-(4-phenylimidazol-1-yl)propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]quinoline-8-sulfonamide Formula: C31H33N5O4S MolecularWeight: 571.68982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C=C(N=C1)C2=CC=CC=C2)NCC(C3=CC(=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5)O

Isomeric SMILES

CC(C)(CCN1C=C(N=C1)C2=CC=CC=C2)NCC(C3=CC(=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5)O

InChI

InChI=1S/C31H33N5O4S/c1-31(2,15-17-36-20-26(33-21-36)22-8-4-3-5-9-22)34-19-28(38)24-13-14-27(37)25(18-24)35-41(39,40)29-12-6-10-23-11-7-16-32-30(23)29/h3-14,16,18,20-21,28,34-35,37-38H,15,17,19H2,1-2H3