N-[(2S,3S)-3-[bis(phenylmethyl)amino]-1-chloranyl-5-methyl-hexan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S,3S)-3-[bis(phenylmethyl)amino]-1-chloranyl-5-methyl-hexan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2S)-1-(chloromethyl)-2-(dibenzylamino)-4-methyl-pentyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S,3S)-3-[bis(phenylmethyl)amino]-1-chloro-5-methylhexan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S,3S)-1-chloro-3-(dibenzylamino)-5-methylhexan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2S)-1-(chloromethyl)-2-(dibenzylamino)-4-methyl-pentyl]-4-methyl-benzenesulfonamide Formula: C28H35ClN2O2S MolecularWeight: 499.1077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCl)C(CC(C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CCl)[C@H](CC(C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C28H35ClN2O2S/c1-22(2)18-28(27(19-29)30-34(32,33)26-16-14-23(3)15-17-26)31(20-24-10-6-4-7-11-24)21-25-12-8-5-9-13-25/h4-17,22,27-28,30H,18-21H2,1-3H3/t27-,28+/m1/s1