[2-[(4-methoxyphenyl)sulfonylamino]-6,6-dimethyl-8-(4-nitrophenoxy)carbonyloxy-3-oxidanyl-1-phenyl-octan-2-yl]carbamic acid

Systemtic Name: [2-[(4-methoxyphenyl)sulfonylamino]-6,6-dimethyl-8-(4-nitrophenoxy)carbonyloxy-3-oxidanyl-1-phenyl-octan-2-yl]carbamic acid Openeye Name: [1-benzyl-2-hydroxy-1-[(4-methoxyphenyl)sulfonylamino]-5,5-dimethyl-7-(4-nitrophenoxy)carbonyloxy-heptyl]carbamic acid CAS Name: [3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-6,6-dimethyl-8-[(4-nitrophenoxy)-oxomethoxy]-1-phenyloctan-2-yl]carbamic acid IUPAC Name: [3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-6,6-dimethyl-8-(4-nitrophenoxy)carbonyloxy-1-phenyloctan-2-yl]carbamic acid Traditional Name: [1-benzyl-2-hydroxy-1-[(4-methoxyphenyl)sulfonylamino]-5,5-dimethyl-7-(4-nitrophenoxy)carbonyloxy-heptyl]carbamic acid Formula: C31H37N3O11S MolecularWeight: 659.70398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(C(CC1=CC=CC=C1)(NC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC)O)CCOC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CCC(C(CC1=CC=CC=C1)(NC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC)O)CCOC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C31H37N3O11S/c1-30(2,19-20-44-29(38)45-25-11-9-23(10-12-25)34(39)40)18-17-27(35)31(32-28(36)37,21-22-7-5-4-6-8-22)33-46(41,42)26-15-13-24(43-3)14-16-26/h4-16,27,32-33,35H,17-21H2,1-3H3,(H,36,37)