2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-pyrrolidinosulfonylbenzoyl)amino]ethyl-diethyl-ammonium Formula: C26H35N4O3S2+ MolecularWeight: 515.7111

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC(=CC(=C2S1)C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC(=CC(=C2S1)C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C26H34N4O3S2/c1-5-28(6-2)15-16-30(26-27-23-18-19(3)17-20(4)24(23)34-26)25(31)21-9-11-22(12-10-21)35(32,33)29-13-7-8-14-29/h9-12,17-18H,5-8,13-16H2,1-4H3/p+1