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

Systemtic Name: 5-[bis(2-cyclohexylethyl)amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[bis(2-cyclohexylethyl)amino]-4-(2-naphthylsulfonylmethyl)-5-oxo-pentanoic acid CAS Name: 5-[bis(2-cyclohexylethyl)amino]-4-(2-naphthalenylsulfonylmethyl)-5-oxopentanoic acid IUPAC Name: 5-[bis(2-cyclohexylethyl)amino]-4-(naphthalen-2-ylsulfonylmethyl)-5-oxopentanoic acid Traditional Name: 5-[bis(2-cyclohexylethyl)amino]-5-keto-4-(2-naphthylsulfonylmethyl)valeric acid Formula: C32H45NO5S MolecularWeight: 555.7684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN(CCC2CCCCC2)C(=O)C(CCC(=O)O)CS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(CC1)CCN(CCC2CCCCC2)C(=O)C(CCC(=O)O)CS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C32H45NO5S/c34-31(35)18-16-29(24-39(37,38)30-17-15-27-13-7-8-14-28(27)23-30)32(36)33(21-19-25-9-3-1-4-10-25)22-20-26-11-5-2-6-12-26/h7-8,13-15,17,23,25-26,29H,1-6,9-12,16,18-22,24H2,(H,34,35)