2-[4,7,9-tris(azanyl)-10-methyl-6-(4-methylphenyl)sulfonyl-7-oxidanyl-5,8-bis(oxidanylidene)-6-(phenylmethyl)undecyl]guanidine

Systemtic Name: 2-[4,7,9-tris(azanyl)-10-methyl-6-(4-methylphenyl)sulfonyl-7-oxidanyl-5,8-bis(oxidanylidene)-6-(phenylmethyl)undecyl]guanidine Openeye Name: 2-[4,7,9-triamino-6-benzyl-7-hydroxy-10-methyl-5,8-dioxo-6-(p-tolylsulfonyl)undecyl]guanidine CAS Name: 2-[4,7,9-triamino-7-hydroxy-10-methyl-6-(4-methylphenyl)sulfonyl-5,8-dioxo-6-(phenylmethyl)undecyl]guanidine IUPAC Name: 2-[4,7,9-triamino-6-benzyl-7-hydroxy-10-methyl-6-(4-methylphenyl)sulfonyl-5,8-dioxoundecyl]guanidine Traditional Name: 2-(4,7,9-triamino-6-benzyl-7-hydroxy-5,8-diketo-10-methyl-6-tosyl-undecyl)guanidine Formula: C27H40N6O5S MolecularWeight: 560.7087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2)(C(=O)C(CCCN=C(N)N)N)C(C(=O)C(C(C)C)N)(N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2)(C(=O)C(CCCN=C(N)N)N)C(C(=O)C(C(C)C)N)(N)O

InChI

InChI=1S/C27H40N6O5S/c1-17(2)22(29)24(35)27(32,36)26(16-19-8-5-4-6-9-19,23(34)21(28)10-7-15-33-25(30)31)39(37,38)20-13-11-18(3)12-14-20/h4-6,8-9,11-14,17,21-22,36H,7,10,15-16,28-29,32H2,1-3H3,(H4,30,31,33)