9H-fluoren-9-ylmethyl (3R)-4-[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl-3-(oxan-2-yloxycarbamoyl)piperazine-1-carboxylate

Systemtic Name: 9H-fluoren-9-ylmethyl (3R)-4-[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl-3-(oxan-2-yloxycarbamoyl)piperazine-1-carboxylate Openeye Name: 9H-fluoren-9-ylmethyl (3R)-4-[[5-(4-ethoxyphenyl)-2-thienyl]sulfonyl]-3-(tetrahydropyran-2-yloxycarbamoyl)piperazine-1-carboxylate CAS Name: (3R)-4-[[5-(4-ethoxyphenyl)-2-thiophenyl]sulfonyl]-3-[(2-oxanyloxyamino)-oxomethyl]-1-piperazinecarboxylic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl (3R)-4-[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl-3-(oxan-2-yloxycarbamoyl)piperazine-1-carboxylate Traditional Name: (3R)-4-[(5-p-phenetyl-2-thienyl)sulfonyl]-3-(tetrahydropyran-2-yloxycarbamoyl)piperazine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester Formula: C37H39N3O8S2 MolecularWeight: 717.85086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(CC3C(=O)NOC4CCCCO4)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)N3CCN(C[C@@H]3C(=O)NOC4CCCCO4)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

InChI

InChI=1S/C37H39N3O8S2/c1-2-45-26-16-14-25(15-17-26)33-18-19-35(49-33)50(43,44)40-21-20-39(23-32(40)36(41)38-48-34-13-7-8-22-46-34)37(42)47-24-31-29-11-5-3-9-27(29)28-10-4-6-12-30(28)31/h3-6,9-12,14-19,31-32,34H,2,7-8,13,20-24H2,1H3,(H,38,41)/t32-,34?/m1/s1