N-[4-[1,3-benzothiazol-6-ylsulfonyl(methyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide

Systemtic Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(methyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide Openeye Name: N-[3-[1,3-benzothiazol-6-ylsulfonyl(methyl)amino]-1-benzyl-2-hydroxy-propyl]-2-methyl-3-methylsulfonyl-propanamide CAS Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(methyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide IUPAC Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(methyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide Traditional Name: N-[3-[1,3-benzothiazol-6-ylsulfonyl(methyl)amino]-1-benzyl-2-hydroxy-propyl]-3-mesyl-2-methyl-propionamide Formula: C23H29N3O6S3 MolecularWeight: 539.68786

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C)C(=O)NC(CC1=CC=CC=C1)C(CN(C)S(=O)(=O)C2=CC3=C(C=C2)N=CS3)O

Isomeric SMILES

CC(CS(=O)(=O)C)C(=O)NC(CC1=CC=CC=C1)C(CN(C)S(=O)(=O)C2=CC3=C(C=C2)N=CS3)O

InChI

InChI=1S/C23H29N3O6S3/c1-16(14-34(3,29)30)23(28)25-20(11-17-7-5-4-6-8-17)21(27)13-26(2)35(31,32)18-9-10-19-22(12-18)33-15-24-19/h4-10,12,15-16,20-21,27H,11,13-14H2,1-3H3,(H,25,28)