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

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(4-pyrrolidinosulfonylbenzoyl)amino]ethyl-diethyl-ammonium Formula: C26H35N4O4S2+ MolecularWeight: 531.7105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4S2/c1-4-28(5-2)18-19-30(26-27-24-22(34-6-3)10-9-11-23(24)35-26)25(31)20-12-14-21(15-13-20)36(32,33)29-16-7-8-17-29/h9-15H,4-8,16-19H2,1-3H3/p+1