tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(2,2-dimethyl-6-oxidanyl-hexyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(2,2-dimethyl-6-oxidanyl-hexyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-[1,3-benzodioxol-5-ylsulfonyl-(6-hydroxy-2,2-dimethyl-hexyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl-(6-hydroxy-2,2-dimethylhexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[1,3-benzodioxol-5-ylsulfonyl-(6-hydroxy-2,2-dimethylhexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl-(6-hydroxy-2,2-dimethyl-hexyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C30H44N2O8S MolecularWeight: 592.74396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN(CC(C)(C)CCCCO)S(=O)(=O)C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CN(CC(C)(C)CCCCO)S(=O)(=O)C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C30H44N2O8S/c1-29(2,3)40-28(35)31-24(17-22-11-7-6-8-12-22)25(34)19-32(20-30(4,5)15-9-10-16-33)41(36,37)23-13-14-26-27(18-23)39-21-38-26/h6-8,11-14,18,24-25,33-34H,9-10,15-17,19-21H2,1-5H3,(H,31,35)