N-[(1S,2S)-2-azanyl-1,2-bis(3,5-ditert-butylphenyl)ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1S,2S)-2-azanyl-1,2-bis(3,5-ditert-butylphenyl)ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S,2S)-2-amino-1,2-bis(3,5-ditert-butylphenyl)ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S,2S)-2-amino-1,2-bis(3,5-ditert-butylphenyl)ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S,2S)-2-amino-1,2-bis(3,5-ditert-butylphenyl)ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S,2S)-2-amino-1,2-bis(3,5-ditert-butylphenyl)ethyl]-4-methyl-benzenesulfonamide Formula: C37H54N2O2S MolecularWeight: 590.90186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H54N2O2S/c1-24-14-16-31(17-15-24)42(40,41)39-33(26-20-29(36(8,9)10)23-30(21-26)37(11,12)13)32(38)25-18-27(34(2,3)4)22-28(19-25)35(5,6)7/h14-23,32-33,39H,38H2,1-13H3/t32-,33-/m0/s1