N-[(1S,2R,4S)-4-azanyl-2-(6-chloranylpyridin-3-yl)cyclohexyl]-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide

Systemtic Name: N-[(1S,2R,4S)-4-azanyl-2-(6-chloranylpyridin-3-yl)cyclohexyl]-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide Openeye Name: N-[(1S,2R,4S)-4-amino-2-(6-chloro-3-pyridyl)cyclohexyl]-4-methyl-N-(p-tolylsulfonyl)benzenesulfonamide CAS Name: N-[(1S,2R,4S)-4-amino-2-(6-chloro-3-pyridinyl)cyclohexyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide IUPAC Name: N-[(1S,2R,4S)-4-amino-2-(6-chloropyridin-3-yl)cyclohexyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide Traditional Name: N-[(1S,2R,4S)-4-amino-2-(6-chloro-3-pyridyl)cyclohexyl]-4-methyl-N-tosyl-benzenesulfonamide Formula: C25H28ClN3O4S2 MolecularWeight: 534.09052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2CCC(CC2C3=CN=C(C=C3)Cl)N)S(=O)(=O)C4=CC=C(C=C4)C

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)N)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H28ClN3O4S2/c1-17-3-9-21(10-4-17)34(30,31)29(35(32,33)22-11-5-18(2)6-12-22)24-13-8-20(27)15-23(24)19-7-14-25(26)28-16-19/h3-7,9-12,14,16,20,23-24H,8,13,15,27H2,1-2H3/t20-,23+,24-/m0/s1