N-[(2-azanyl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-azanyl-1-phenyl-butan-2-yl)-2-methyl-3-methylsulfonyl-propanamide

Systemtic Name: N-[(2-azanyl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-azanyl-1-phenyl-butan-2-yl)-2-methyl-3-methylsulfonyl-propanamide Openeye Name: N-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]-N-(1-amino-1-benzyl-propyl)-2-methyl-3-methylsulfonyl-propanamide CAS Name: N-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-amino-1-phenylbutan-2-yl)-2-methyl-3-methylsulfonylpropanamide IUPAC Name: N-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-amino-1-phenylbutan-2-yl)-2-methyl-3-methylsulfonylpropanamide Traditional Name: N-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]-N-(1-amino-1-benzyl-propyl)-3-mesyl-2-methyl-propionamide Formula: C22H28N4O5S3 MolecularWeight: 524.67652

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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)N=C(S3)N

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)N=C(S3)N

InChI

InChI=1S/C22H28N4O5S3/c1-4-22(24,13-16-8-6-5-7-9-16)26(20(27)15(2)14-33(3,28)29)34(30,31)17-10-11-18-19(12-17)32-21(23)25-18/h5-12,15H,4,13-14,24H2,1-3H3,(H2,23,25)