7-(4-methylphenyl)sulfonyl-16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

Systemtic Name: 7-(4-methylphenyl)sulfonyl-16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane Openeye Name: 7-[(4-nitrophenyl)methyl]-16-(p-tolylsulfonyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane CAS Name: 7-(4-methylphenyl)sulfonyl-16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane IUPAC Name: 7-(4-methylphenyl)sulfonyl-16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane Traditional Name: 7-(4-nitrobenzyl)-16-tosyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane Formula: C26H37N3O8S MolecularWeight: 551.65228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCOCCOCCN(CCOCCOCC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCOCCOCCN(CCOCCOCC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H37N3O8S/c1-23-2-8-26(9-3-23)38(32,33)28-12-16-36-20-18-34-14-10-27(11-15-35-19-21-37-17-13-28)22-24-4-6-25(7-5-24)29(30)31/h2-9H,10-22H2,1H3