(3S,4R)-4-[(4-chlorophenyl)-(1H-imidazol-2-ylmethyl)amino]-2,2-dimethyl-N,N-bis(2-methylpropyl)-3-oxidanyl-3,4-dihydrochromene-6-sulfonamide

Systemtic Name: (3S,4R)-4-[(4-chlorophenyl)-(1H-imidazol-2-ylmethyl)amino]-2,2-dimethyl-N,N-bis(2-methylpropyl)-3-oxidanyl-3,4-dihydrochromene-6-sulfonamide Openeye Name: (3S,4R)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-3-hydroxy-N,N-diisobutyl-2,2-dimethyl-chromane-6-sulfonamide CAS Name: (3S,4R)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-N,N-bis(2-methylpropyl)-3,4-dihydro-2H-1-benzopyran-6-sulfonamide IUPAC Name: (3S,4R)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-N,N-bis(2-methylpropyl)-3,4-dihydrochromene-6-sulfonamide Traditional Name: (3S,4R)-4-[4-chloro-N-(1H-imidazol-2-ylmethyl)anilino]-3-hydroxy-N,N-diisobutyl-2,2-dimethyl-chroman-6-sulfonamide Formula: C29H39ClN4O4S MolecularWeight: 575.16236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)OC(C(C2N(CC3=NC=CN3)C4=CC=C(C=C4)Cl)O)(C)C

Isomeric SMILES

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)OC([C@H]([C@@H]2N(CC3=NC=CN3)C4=CC=C(C=C4)Cl)O)(C)C

InChI

InChI=1S/C29H39ClN4O4S/c1-19(2)16-33(17-20(3)4)39(36,37)23-11-12-25-24(15-23)27(28(35)29(5,6)38-25)34(18-26-31-13-14-32-26)22-9-7-21(30)8-10-22/h7-15,19-20,27-28,35H,16-18H2,1-6H3,(H,31,32)/t27-,28+/m1/s1