N-[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethanamide

Systemtic Name: N-[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]ethanamide Openeye Name: 2-[benzyl(p-tolylsulfonyl)amino]-N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]acetamide CAS Name: N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]acetamide IUPAC Name: 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]acetamide Traditional Name: 2-[benzyl(tosyl)amino]-N-[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]acetamide Formula: C33H45N3O6S2 MolecularWeight: 643.8569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C33H45N3O6S2/c1-26(2)22-36(44(41,42)32-19-15-28(4)16-20-32)30(25-37)12-8-9-21-34-33(38)24-35(23-29-10-6-5-7-11-29)43(39,40)31-17-13-27(3)14-18-31/h5-7,10-11,13-20,26,30,37H,8-9,12,21-25H2,1-4H3,(H,34,38)/t30-/m0/s1