(E)-4-oxidanylidene-4-[2-(phenylsulfonyl)ethoxy]but-2-enoate; 2-piperidin-1-ylethanamine

Systemtic Name: (E)-4-oxidanylidene-4-[2-(phenylsulfonyl)ethoxy]but-2-enoate; 2-piperidin-1-ylethanamine Openeye Name: (E)-4-[2-(benzenesulfonyl)ethoxy]-4-oxo-but-2-enoate; 2-(1-piperidyl)ethanamine CAS Name: (E)-4-[2-(benzenesulfonyl)ethoxy]-4-oxo-2-butenoate; 2-(1-piperidinyl)ethanamine IUPAC Name: (E)-4-[2-(benzenesulfonyl)ethoxy]-4-oxobut-2-enoate; 2-piperidin-1-ylethanamine Traditional Name: (E)-4-(2-besylethoxy)-4-keto-but-2-enoate; 2-piperidinoethylamine Formula: C19H27N2O6S- MolecularWeight: 411.49248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN.C1=CC=C(C=C1)S(=O)(=O)CCOC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCN.C1=CC=C(C=C1)S(=O)(=O)CCOC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C12H12O6S.C7H16N2/c13-11(14)6-7-12(15)18-8-9-19(16,17)10-4-2-1-3-5-10;8-4-7-9-5-2-1-3-6-9/h1-7H,8-9H2,(H,13,14);1-8H2/p-1/b7-6+;