2-[bis(2-cyclohexylethyl)carbamoyl]-5-naphthalen-2-ylsulfonyl-pentanoic acid

Systemtic Name: 2-[bis(2-cyclohexylethyl)carbamoyl]-5-naphthalen-2-ylsulfonyl-pentanoic acid Openeye Name: 2-[bis(2-cyclohexylethyl)carbamoyl]-5-(2-naphthylsulfonyl)pentanoic acid CAS Name: 2-[[bis(2-cyclohexylethyl)amino]-oxomethyl]-5-(2-naphthalenylsulfonyl)pentanoic acid IUPAC Name: 2-[bis(2-cyclohexylethyl)carbamoyl]-5-naphthalen-2-ylsulfonylpentanoic acid Traditional Name: 2-[bis(2-cyclohexylethyl)carbamoyl]-5-(2-naphthylsulfonyl)valeric acid Formula: C32H45NO5S MolecularWeight: 555.7684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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