5-[bis(2-acetyloxyethyl)amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[bis(2-acetyloxyethyl)amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[bis(2-acetoxyethyl)amino]-4-(2-naphthylsulfonylmethyl)-5-oxo-pentanoic acid CAS Name: 5-[bis(2-acetyloxyethyl)amino]-4-(2-naphthalenylsulfonylmethyl)-5-oxopentanoic acid IUPAC Name: 5-[bis(2-acetyloxyethyl)amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acid Traditional Name: 5-[bis(2-acetoxyethyl)amino]-5-keto-4-(2-naphthylsulfonylmethyl)valeric acid Formula: C24H29NO9S MolecularWeight: 507.55336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CCOC(=O)C)C(=O)C(CCC(=O)O)CS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(=O)OCCN(CCOC(=O)C)C(=O)C(CCC(=O)O)CS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C24H29NO9S/c1-17(26)33-13-11-25(12-14-34-18(2)27)24(30)21(8-10-23(28)29)16-35(31,32)22-9-7-19-5-3-4-6-20(19)15-22/h3-7,9,15,21H,8,10-14,16H2,1-2H3,(H,28,29)