1,3-benzothiazol-2-ylmethyl-[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C23H29N4O4S2+ MolecularWeight: 489.63076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H28N4O4S2/c1-3-31-19-11-10-17(14-21(19)33(29,30)27-12-6-7-13-27)24-22(28)15-26(2)16-23-25-18-8-4-5-9-20(18)32-23/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,24,28)/p+1