1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl]-methyl-ammonium Formula: C22H27N4O3S2+ MolecularWeight: 459.60478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O3S2/c1-16(25(2)15-21-24-19-7-3-4-8-20(19)30-21)22(27)23-17-9-11-18(12-10-17)31(28,29)26-13-5-6-14-26/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H,23,27)/p+1/t16-/m1/s1