(7S,10E)-7-methyl-1,5-bis[(2-nitrophenyl)sulfonyl]-1,5-diazacyclotetradec-10-ene

Systemtic Name: (7S,10E)-7-methyl-1,5-bis[(2-nitrophenyl)sulfonyl]-1,5-diazacyclotetradec-10-ene Openeye Name: (7S,10E)-7-methyl-1,5-bis[(2-nitrophenyl)sulfonyl]-1,5-diazacyclotetradec-10-ene CAS Name: (7S,10E)-7-methyl-1,5-bis[(2-nitrophenyl)sulfonyl]-1,5-diazacyclotetradec-10-ene IUPAC Name: (7S,10E)-7-methyl-1,5-bis[(2-nitrophenyl)sulfonyl]-1,5-diazacyclotetradec-10-ene Traditional Name: (7S,10E)-7-methyl-1,5-bis[(2-nitrophenyl)sulfonyl]-1,5-diazacyclotetradec-10-ene Formula: C25H32N4O8S2 MolecularWeight: 580.67358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC=CCCCN(CCCN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CC/C=C/CCCN(CCCN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C25H32N4O8S2/c1-21-12-5-3-2-4-10-17-26(38(34,35)24-15-8-6-13-22(24)28(30)31)18-11-19-27(20-21)39(36,37)25-16-9-7-14-23(25)29(32)33/h2-3,6-9,13-16,21H,4-5,10-12,17-20H2,1H3/b3-2+/t21-/m0/s1