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

Systemtic Name: N-[(1S,3R,4S)-4-bromanyl-3-(6-chloranylpyridin-3-yl)cyclohexyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,3R,4S)-4-bromo-3-(6-chloro-3-pyridyl)cyclohexyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,3R,4S)-4-bromo-3-(6-chloro-3-pyridinyl)cyclohexyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,3R,4S)-4-bromo-3-(6-chloropyridin-3-yl)cyclohexyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,3R,4S)-4-bromo-3-(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(C(C2)C3=CN=C(C=C3)Cl)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2CC[C@@H]([C@H](C2)C3=CN=C(C=C3)Cl)Br

InChI

InChI=1S/C18H20BrClN2O2S/c1-12-2-6-15(7-3-12)25(23,24)22-14-5-8-17(19)16(10-14)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-/m0/s1