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

Systemtic Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]-2-methyl-3-piperidin-1-ylsulfonyl-propanamide Openeye Name: N-[3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-2-hydroxy-1-methyl-propyl]-2-methyl-3-(1-piperidylsulfonyl)propanamide CAS Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxybutan-2-yl]-2-methyl-3-(1-piperidinylsulfonyl)propanamide IUPAC Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxybutan-2-yl]-2-methyl-3-piperidin-1-ylsulfonylpropanamide Traditional Name: N-[3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-2-hydroxy-1-methyl-propyl]-2-methyl-3-piperidinosulfonyl-propionamide Formula: C24H38N4O6S3 MolecularWeight: 574.77672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(C)NC(=O)C(C)CS(=O)(=O)N1CCCCC1)O)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(C)CN(CC(C(C)NC(=O)C(C)CS(=O)(=O)N1CCCCC1)O)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C24H38N4O6S3/c1-17(2)13-28(37(33,34)20-8-9-21-23(12-20)35-16-25-21)14-22(29)19(4)26-24(30)18(3)15-36(31,32)27-10-6-5-7-11-27/h8-9,12,16-19,22,29H,5-7,10-11,13-15H2,1-4H3,(H,26,30)