4-(dipentylamino)-3-(naphthalen-2-ylsulfonylmethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(dipentylamino)-3-(naphthalen-2-ylsulfonylmethyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(dipentylamino)-3-(2-naphthylsulfonylmethyl)-4-oxo-butanoic acid CAS Name: 4-(dipentylamino)-3-(2-naphthalenylsulfonylmethyl)-4-oxobutanoic acid IUPAC Name: 4-(dipentylamino)-3-(naphthalen-2-ylsulfonylmethyl)-4-oxobutanoic acid Traditional Name: 4-(diamylamino)-4-keto-3-(2-naphthylsulfonylmethyl)butyric acid Formula: C25H35NO5S MolecularWeight: 461.6141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CC(=O)O)CS(=O)(=O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CC(=O)O)CS(=O)(=O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C25H35NO5S/c1-3-5-9-15-26(16-10-6-4-2)25(29)22(18-24(27)28)19-32(30,31)23-14-13-20-11-7-8-12-21(20)17-23/h7-8,11-14,17,22H,3-6,9-10,15-16,18-19H2,1-2H3,(H,27,28)