6-methyl-9-(2-methylpropyl)-10-[(oxidanylamino)oxymethyl]-1-(phenylsulfonyl)-1,7-diazacyclotridecan-8-one

Systemtic Name: 6-methyl-9-(2-methylpropyl)-10-[(oxidanylamino)oxymethyl]-1-(phenylsulfonyl)-1,7-diazacyclotridecan-8-one Openeye Name: 1-(benzenesulfonyl)-10-[(hydroxyamino)oxymethyl]-9-isobutyl-6-methyl-1,7-diazacyclotridecan-8-one CAS Name: 1-(benzenesulfonyl)-10-[(hydroxyamino)oxymethyl]-6-methyl-9-(2-methylpropyl)-1,7-diazacyclotridecan-8-one IUPAC Name: 1-(benzenesulfonyl)-10-[(hydroxyamino)oxymethyl]-6-methyl-9-(2-methylpropyl)-1,7-diazacyclotridecan-8-one Traditional Name: 1-besyl-10-[(hydroxyamino)oxymethyl]-9-isobutyl-6-methyl-1,7-diazacyclotridecan-8-one Formula: C23H39N3O5S MolecularWeight: 469.63786

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN(CCCC(C(C(=O)N1)CC(C)C)CONO)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1CCCCN(CCCC(C(C(=O)N1)CC(C)C)CONO)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H39N3O5S/c1-18(2)16-22-20(17-31-25-28)11-9-15-26(14-8-7-10-19(3)24-23(22)27)32(29,30)21-12-5-4-6-13-21/h4-6,12-13,18-20,22,25,28H,7-11,14-17H2,1-3H3,(H,24,27)