2-[(5-methoxy-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-methoxy-1,3-benzothiazol-2-yl)-(4-pyrrolidinosulfonylbenzoyl)amino]ethyl-dimethyl-ammonium Formula: C23H29N4O4S2+ MolecularWeight: 489.63076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H28N4O4S2/c1-25(2)14-15-27(23-24-20-16-18(31-3)8-11-21(20)32-23)22(28)17-6-9-19(10-7-17)33(29,30)26-12-4-5-13-26/h6-11,16H,4-5,12-15H2,1-3H3/p+1