(4S)-5,9-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,5,9-triazacyclotridecan-2-one

Systemtic Name: (4S)-5,9-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,5,9-triazacyclotridecan-2-one Openeye Name: (4S)-4-phenyl-5,9-bis(p-tolylsulfonyl)-1,5,9-triazacyclotridecan-2-one CAS Name: (4S)-5,9-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,5,9-triazacyclotridecan-2-one IUPAC Name: (4S)-5,9-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,5,9-triazacyclotridecan-2-one Traditional Name: (4S)-4-phenyl-5,9-ditosyl-1,5,9-triazacyclotridecan-2-one Formula: C30H37N3O5S2 MolecularWeight: 583.76188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCNC(=O)CC(N(CCC2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCNC(=O)C[C@H](N(CCC2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C30H37N3O5S2/c1-24-11-15-27(16-12-24)39(35,36)32-20-7-6-19-31-30(34)23-29(26-9-4-3-5-10-26)33(22-8-21-32)40(37,38)28-17-13-25(2)14-18-28/h3-5,9-18,29H,6-8,19-23H2,1-2H3,(H,31,34)/t29-/m0/s1