N-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-fluoranyl-2-methyl-benzamide

Systemtic Name: N-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-fluoranyl-2-methyl-benzamide Openeye Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]-3-fluoro-2-methyl-benzamide CAS Name: N-[4-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-fluoro-2-methylbenzamide IUPAC Name: N-[4-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-fluoro-2-methylbenzamide Traditional Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]-3-fluoro-2-methyl-benzamide Formula: C29H33FN4O4S2 MolecularWeight: 584.725123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1F)C(=O)NC(CC2=CC=CC=C2)C(CN(CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)N=C(S4)N)O

Isomeric SMILES

CC1=C(C=CC=C1F)C(=O)NC(CC2=CC=CC=C2)C(CN(CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)N=C(S4)N)O

InChI

InChI=1S/C29H33FN4O4S2/c1-18(2)16-34(40(37,38)21-12-13-24-27(15-21)39-29(31)33-24)17-26(35)25(14-20-8-5-4-6-9-20)32-28(36)22-10-7-11-23(30)19(22)3/h4-13,15,18,25-26,35H,14,16-17H2,1-3H3,(H2,31,33)(H,32,36)