2-[4-azanyl-9-methyl-7-(naphthalen-1-ylsulfonylamino)-5,6-bis(oxidanylidene)decyl]guanidine

Systemtic Name: 2-[4-azanyl-9-methyl-7-(naphthalen-1-ylsulfonylamino)-5,6-bis(oxidanylidene)decyl]guanidine Openeye Name: 2-[4-amino-9-methyl-7-(1-naphthylsulfonylamino)-5,6-dioxo-decyl]guanidine CAS Name: 2-[4-amino-9-methyl-7-(1-naphthalenylsulfonylamino)-5,6-dioxodecyl]guanidine IUPAC Name: 2-[4-amino-9-methyl-7-(naphthalen-1-ylsulfonylamino)-5,6-dioxodecyl]guanidine Traditional Name: 2-[4-amino-5,6-diketo-9-methyl-7-(1-naphthylsulfonylamino)decyl]guanidine Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(=O)C(CCCN=C(N)N)N)NS(=O)(=O)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C)CC(C(=O)C(=O)C(CCCN=C(N)N)N)NS(=O)(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C22H31N5O4S/c1-14(2)13-18(21(29)20(28)17(23)10-6-12-26-22(24)25)27-32(30,31)19-11-5-8-15-7-3-4-9-16(15)19/h3-5,7-9,11,14,17-18,27H,6,10,12-13,23H2,1-2H3,(H4,24,25,26)