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

Systemtic Name: N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(pentyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-oxidanyl-benzamide Openeye Name: N-[(1S,2R)-3-[1,3-benzothiazol-6-ylsulfonyl(pentyl)amino]-1-benzyl-2-hydroxy-propyl]-3-hydroxy-benzamide CAS Name: N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(pentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide IUPAC Name: N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(pentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide Traditional Name: N-[(1S,2R)-3-[amyl(1,3-benzothiazol-6-ylsulfonyl)amino]-1-benzyl-2-hydroxy-propyl]-3-hydroxy-benzamide Formula: C29H33N3O5S2 MolecularWeight: 567.71942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)O)O)S(=O)(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCCCCN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)O)O)S(=O)(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C29H33N3O5S2/c1-2-3-7-15-32(39(36,37)24-13-14-25-28(18-24)38-20-30-25)19-27(34)26(16-21-9-5-4-6-10-21)31-29(35)22-11-8-12-23(33)17-22/h4-6,8-14,17-18,20,26-27,33-34H,2-3,7,15-16,19H2,1H3,(H,31,35)/t26-,27+/m0/s1