2-[[2-[(4-chlorophenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-[(4-chlorophenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[(4-chlorophenyl)sulfonylamino]-1,3-benzothiazole-6-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-[(4-chlorophenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[(4-chlorophenyl)sulfonylamino]-1,3-benzothiazole-6-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[(4-chlorophenyl)sulfonylamino]-1,3-benzothiazole-6-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C18H20ClN4O3S2+ MolecularWeight: 439.9594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN4O3S2/c1-23(2)10-9-20-17(24)12-3-8-15-16(11-12)27-18(21-15)22-28(25,26)14-6-4-13(19)5-7-14/h3-8,11H,9-10H2,1-2H3,(H,20,24)(H,21,22)/p+1