1,3-benzothiazol-2-ylmethyl-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H24ClN4O3S2+ MolecularWeight: 480.02326

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H23ClN4O3S2/c1-25(14-21-24-17-6-2-3-7-19(17)30-21)13-20(27)23-18-12-15(8-9-16(18)22)31(28,29)26-10-4-5-11-26/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,23,27)/p+1