N-[(1R,2R,4R)-4-bromanyl-2-(6-chloranylpyridin-3-yl)cyclohexyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R,2R,4R)-4-bromanyl-2-(6-chloranylpyridin-3-yl)cyclohexyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2R,4R)-4-bromo-2-(6-chloro-3-pyridyl)cyclohexyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,2R,4R)-4-bromo-2-(6-chloro-3-pyridinyl)cyclohexyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,2R,4R)-4-bromo-2-(6-chloropyridin-3-yl)cyclohexyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2R,4R)-4-bromo-2-(6-chloro-3-pyridyl)cyclohexyl]-4-methyl-benzenesulfonamide Formula: C18H20BrClN2O2S MolecularWeight: 443.7856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CCC(CC2C3=CN=C(C=C3)Cl)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](C[C@@H]2C3=CN=C(C=C3)Cl)Br

InChI

InChI=1S/C18H20BrClN2O2S/c1-12-2-6-15(7-3-12)25(23,24)22-17-8-5-14(19)10-16(17)13-4-9-18(20)21-11-13/h2-4,6-7,9,11,14,16-17,22H,5,8,10H2,1H3/t14-,16-,17-/m1/s1