(phenylmethyl) N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: benzyl N-[3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid benzyl ester Formula: C29H33N3O5S2 MolecularWeight: 567.71942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C29H33N3O5S2/c1-21(2)17-32(39(35,36)24-13-14-25-28(16-24)38-20-30-25)18-27(33)26(15-22-9-5-3-6-10-22)31-29(34)37-19-23-11-7-4-8-12-23/h3-14,16,20-21,26-27,33H,15,17-19H2,1-2H3,(H,31,34)