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

Systemtic Name: N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-2-[2-methylpropyl(phenyl)amino]ethanamide Openeye Name: N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-(N-isobutylanilino)acetamide CAS Name: N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-2-[N-(2-methylpropyl)anilino]acetamide IUPAC Name: N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-2-[N-(2-methylpropyl)anilino]acetamide Traditional Name: N-[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]-2-(N-isobutylanilino)acetamide Formula: C28H44N4O4S MolecularWeight: 532.73836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)N)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C28H44N4O4S/c1-22(2)18-31(25-10-6-5-7-11-25)20-28(34)30-17-9-8-12-26(21-33)32(19-23(3)4)37(35,36)27-15-13-24(29)14-16-27/h5-7,10-11,13-16,22-23,26,33H,8-9,12,17-21,29H2,1-4H3,(H,30,34)/t26-/m0/s1