1,3-thiazol-5-ylmethyl N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N-methyl-carbamate

Systemtic Name: 1,3-thiazol-5-ylmethyl N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N-methyl-carbamate Openeye Name: thiazol-5-ylmethyl N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-N-methyl-carbamate CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N-methylcarbamic acid 5-thiazolylmethyl ester IUPAC Name: 1,3-thiazol-5-ylmethyl N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N-methylcarbamate Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-N-methyl-carbamic acid thiazol-5-ylmethyl ester Formula: C27H33N3O7S2 MolecularWeight: 575.69682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)N(C)C(=O)OCC2=CN=CS2)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)N(C)C(=O)OCC2=CN=CS2)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H33N3O7S2/c1-19(2)14-30(39(33,34)22-9-10-25-26(12-22)37-18-36-25)15-24(31)23(11-20-7-5-4-6-8-20)29(3)27(32)35-16-21-13-28-17-38-21/h4-10,12-13,17,19,23-24,31H,11,14-16,18H2,1-3H3