[2,6-diacetamido-4-[(5-chloranylsulfonyl-2,1-benzothiazol-3-yl)diazenyl]phenyl] methanesulfonate

Systemtic Name: [2,6-diacetamido-4-[(5-chloranylsulfonyl-2,1-benzothiazol-3-yl)diazenyl]phenyl] methanesulfonate Openeye Name: [2,6-diacetamido-4-[(5-chlorosulfonyl-2,1-benzothiazol-3-yl)azo]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2,6-diacetamido-4-[(5-chlorosulfonyl-2,1-benzothiazol-3-yl)azo]phenyl] ester IUPAC Name: [2,6-diacetamido-4-[(5-chlorosulfonyl-2,1-benzothiazol-3-yl)diazenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2,6-diacetamido-4-[(5-chlorosulfonyl-2,1-benzothiazol-3-yl)azo]phenyl] ester Formula: C18H16ClN5O7S3 MolecularWeight: 545.99694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1OS(=O)(=O)C)NC(=O)C)N=NC2=C3C=C(C=CC3=NS2)S(=O)(=O)Cl

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1OS(=O)(=O)C)NC(=O)C)N=NC2=C3C=C(C=CC3=NS2)S(=O)(=O)Cl

InChI

InChI=1S/C18H16ClN5O7S3/c1-9(25)20-15-6-11(7-16(21-10(2)26)17(15)31-33(3,27)28)22-23-18-13-8-12(34(19,29)30)4-5-14(13)24-32-18/h4-8H,1-3H3,(H,20,25)(H,21,26)