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

Systemtic Name: N-[(2S,3S)-3-[bis(phenylmethyl)amino]-1-chloranyl-4-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2S)-1-(chloromethyl)-2-(dibenzylamino)-3-phenyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S,3S)-3-[bis(phenylmethyl)amino]-1-chloro-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S,3S)-1-chloro-3-(dibenzylamino)-4-phenylbutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2S)-1-(chloromethyl)-2-(dibenzylamino)-3-phenyl-propyl]-4-methyl-benzenesulfonamide Formula: C31H33ClN2O2S MolecularWeight: 533.12392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCl)C(CC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CCl)[C@H](CC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C31H33ClN2O2S/c1-25-17-19-29(20-18-25)37(35,36)33-30(22-32)31(21-26-11-5-2-6-12-26)34(23-27-13-7-3-8-14-27)24-28-15-9-4-10-16-28/h2-20,30-31,33H,21-24H2,1H3/t30-,31+/m1/s1