(phenylmethyl) N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-3-methylsulfonyl-propyl]carbamate CAS Name: N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-methylsulfonyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-methylsulfonyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-3-mesyl-propyl]carbamic acid benzyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C(CCS(=O)(=O)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C(CCS(=O)(=O)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5S2/c1-25(14-20-23-17-10-6-7-11-19(17)31-20)21(26)18(12-13-32(2,28)29)24-22(27)30-15-16-8-4-3-5-9-16/h3-11,18H,12-15H2,1-2H3,(H,24,27)