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

Systemtic Name: N-[5-[2-[[2-methyl-4-(4-phenylimidazol-1-yl)butan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]thiophene-2-sulfonamide Openeye Name: N-[5-[2-[[1,1-dimethyl-3-(4-phenylimidazol-1-yl)propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]thiophene-2-sulfonamide CAS Name: N-[2-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(4-phenyl-1-imidazolyl)butan-2-yl]amino]ethyl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[2-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(4-phenylimidazol-1-yl)butan-2-yl]amino]ethyl]phenyl]thiophene-2-sulfonamide Traditional Name: N-[5-[2-[[1,1-dimethyl-3-(4-phenylimidazol-1-yl)propyl]amino]-1-hydroxy-ethyl]-2-hydroxy-phenyl]thiophene-2-sulfonamide Formula: C26H30N4O4S2 MolecularWeight: 526.6708

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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=CS4)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=CS4)O

InChI

InChI=1S/C26H30N4O4S2/c1-26(2,12-13-30-17-22(27-18-30)19-7-4-3-5-8-19)28-16-24(32)20-10-11-23(31)21(15-20)29-36(33,34)25-9-6-14-35-25/h3-11,14-15,17-18,24,28-29,31-32H,12-13,16H2,1-2H3