5-(dipentylamino)-4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(dipentylamino)-4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(dipentylamino)-4-(2-naphthylsulfonylmethyl)-5-oxo-pentanoic acid CAS Name: 5-(dipentylamino)-4-(2-naphthalenylsulfonylmethyl)-5-oxopentanoic acid IUPAC Name: 5-(dipentylamino)-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acid Traditional Name: 5-(diamylamino)-5-keto-4-(2-naphthylsulfonylmethyl)valeric acid Formula: C26H37NO5S MolecularWeight: 475.64068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO5S/c1-3-5-9-17-27(18-10-6-4-2)26(30)23(14-16-25(28)29)20-33(31,32)24-15-13-21-11-7-8-12-22(21)19-24/h7-8,11-13,15,19,23H,3-6,9-10,14,16-18,20H2,1-2H3,(H,28,29)