hexanedioic acid; 1-[2-(phenylsulfonyl)prop-2-enyl]piperidin-4-ol

Systemtic Name: hexanedioic acid; 1-[2-(phenylsulfonyl)prop-2-enyl]piperidin-4-ol Openeye Name: adipic acid; 1-[2-(benzenesulfonyl)allyl]piperidin-4-ol CAS Name: 1-[2-(benzenesulfonyl)prop-2-enyl]-4-piperidinol; hexanedioic acid IUPAC Name: 1-[2-(benzenesulfonyl)prop-2-enyl]piperidin-4-ol; hexanedioic acid Traditional Name: adipic acid; 1-(2-besylallyl)piperidin-4-ol Formula: C20H29NO7S MolecularWeight: 427.51176

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1CCC(CC1)O)S(=O)(=O)C2=CC=CC=C2.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C=C(CN1CCC(CC1)O)S(=O)(=O)C2=CC=CC=C2.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C14H19NO3S.C6H10O4/c1-12(11-15-9-7-13(16)8-10-15)19(17,18)14-5-3-2-4-6-14;7-5(8)3-1-2-4-6(9)10/h2-6,13,16H,1,7-11H2;1-4H2,(H,7,8)(H,9,10)