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

Systemtic Name: N-[2-[[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-[2-[[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]amino]-2-oxo-ethyl]benzamide CAS Name: N-[2-[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-2-oxoethyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-[2-[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-2-oxoethyl]benzamide Traditional Name: N-benzyl-N-[2-[[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]amino]-2-keto-ethyl]benzamide Formula: C33H43N3O5S MolecularWeight: 593.77662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H43N3O5S/c1-26(2)22-36(42(40,41)31-19-17-27(3)18-20-31)30(25-37)16-10-11-21-34-32(38)24-35(23-28-12-6-4-7-13-28)33(39)29-14-8-5-9-15-29/h4-9,12-15,17-20,26,30,37H,10-11,16,21-25H2,1-3H3,(H,34,38)/t30-/m0/s1