N-(2-azanyl-1-phenyl-butan-2-yl)-N-(1,3-benzothiazol-5-ylsulfonyl)-2-methyl-3-methylsulfonyl-propanamide

Systemtic Name: N-(2-azanyl-1-phenyl-butan-2-yl)-N-(1,3-benzothiazol-5-ylsulfonyl)-2-methyl-3-methylsulfonyl-propanamide Openeye Name: N-(1-amino-1-benzyl-propyl)-N-(1,3-benzothiazol-5-ylsulfonyl)-2-methyl-3-methylsulfonyl-propanamide CAS Name: N-(2-amino-1-phenylbutan-2-yl)-N-(1,3-benzothiazol-5-ylsulfonyl)-2-methyl-3-methylsulfonylpropanamide IUPAC Name: N-(2-amino-1-phenylbutan-2-yl)-N-(1,3-benzothiazol-5-ylsulfonyl)-2-methyl-3-methylsulfonylpropanamide Traditional Name: N-(1-amino-1-benzyl-propyl)-N-(1,3-benzothiazol-5-ylsulfonyl)-3-mesyl-2-methyl-propionamide Formula: C22H27N3O5S3 MolecularWeight: 509.66188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)(N)N(C(=O)C(C)CS(=O)(=O)C)S(=O)(=O)C2=CC3=C(C=C2)SC=N3

Isomeric SMILES

CCC(CC1=CC=CC=C1)(N)N(C(=O)C(C)CS(=O)(=O)C)S(=O)(=O)C2=CC3=C(C=C2)SC=N3

InChI

InChI=1S/C22H27N3O5S3/c1-4-22(23,13-17-8-6-5-7-9-17)25(21(26)16(2)14-32(3,27)28)33(29,30)18-10-11-20-19(12-18)24-15-31-20/h5-12,15-16H,4,13-14,23H2,1-3H3