N-[(1R,2S)-1-(2-chloroethyloxy)-3-methyl-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R,2S)-1-(2-chloroethyloxy)-3-methyl-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-1-[(R)-2-chloroethoxy(phenyl)methyl]-2-methyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,2S)-1-(2-chloroethoxy)-3-methyl-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,2S)-1-(2-chloroethoxy)-3-methyl-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-1-[(R)-2-chloroethoxy(phenyl)methyl]-2-methyl-propyl]-4-methyl-benzenesulfonamide Formula: C20H26ClNO3S MolecularWeight: 395.94334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(C2=CC=CC=C2)OCCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]([C@@H](C2=CC=CC=C2)OCCCl)C(C)C

InChI

InChI=1S/C20H26ClNO3S/c1-15(2)19(20(25-14-13-21)17-7-5-4-6-8-17)22-26(23,24)18-11-9-16(3)10-12-18/h4-12,15,19-20,22H,13-14H2,1-3H3/t19-,20+/m0/s1