(2R,3S)-9-(4-methylphenyl)sulfonyl-3-oxidanyl-2-phenyl-1,5,9-triazacyclotridecan-4-one

Systemtic Name: (2R,3S)-9-(4-methylphenyl)sulfonyl-3-oxidanyl-2-phenyl-1,5,9-triazacyclotridecan-4-one Openeye Name: (2R,3S)-3-hydroxy-2-phenyl-9-(p-tolylsulfonyl)-1,5,9-triazacyclotridecan-4-one CAS Name: (2R,3S)-3-hydroxy-9-(4-methylphenyl)sulfonyl-2-phenyl-1,5,9-triazacyclotridecan-4-one IUPAC Name: (2R,3S)-3-hydroxy-9-(4-methylphenyl)sulfonyl-2-phenyl-1,5,9-triazacyclotridecan-4-one Traditional Name: (2R,3S)-3-hydroxy-2-phenyl-9-tosyl-1,5,9-triazacyclotridecan-4-one Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCNC(C(C(=O)NCCC2)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCN[C@@H]([C@@H](C(=O)NCCC2)O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-18-10-12-20(13-11-18)31(29,30)26-16-6-5-14-24-21(19-8-3-2-4-9-19)22(27)23(28)25-15-7-17-26/h2-4,8-13,21-22,24,27H,5-7,14-17H2,1H3,(H,25,28)/t21-,22+/m1/s1