N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-benzamide

Systemtic Name: N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[(1S,2R)-3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-methyl-benzamide CAS Name: N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S,2R)-3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-methyl-benzamide Formula: C29H33N3O4S2 MolecularWeight: 551.72002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CC2=CC=CC=C2)C(CN(CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)N=CS4)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN(CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)N=CS4)O

InChI

InChI=1S/C29H33N3O4S2/c1-20(2)17-32(38(35,36)23-13-14-25-28(16-23)37-19-30-25)18-27(33)26(15-22-10-5-4-6-11-22)31-29(34)24-12-8-7-9-21(24)3/h4-14,16,19-20,26-27,33H,15,17-18H2,1-3H3,(H,31,34)/t26-,27+/m0/s1