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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl]-methyl-ammonium Formula: C22H27N4O4S2+ MolecularWeight: 475.60418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O4S2/c1-16(25(2)15-21-24-19-8-3-4-9-20(19)31-21)22(27)23-17-6-5-7-18(14-17)32(28,29)26-10-12-30-13-11-26/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,27)/p+1/t16-/m0/s1