4-methylidenepiperidine; 1-(2-nitrophenyl)sulfonylpiperidin-4-one

Systemtic Name: 4-methylidenepiperidine; 1-(2-nitrophenyl)sulfonylpiperidin-4-one Openeye Name: 4-methylenepiperidine; 1-(2-nitrophenyl)sulfonylpiperidin-4-one CAS Name: 4-methylenepiperidine; 1-(2-nitrophenyl)sulfonyl-4-piperidinone IUPAC Name: 4-methylidenepiperidine; 1-(2-nitrophenyl)sulfonylpiperidin-4-one Traditional Name: 4-methylenepiperidine; 1-(2-nitrophenyl)sulfonyl-4-piperidone Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CCNCC1.C1CN(CCC1=O)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C=C1CCNCC1.C1CN(CCC1=O)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O5S.C6H11N/c14-9-5-7-12(8-6-9)19(17,18)11-4-2-1-3-10(11)13(15)16;1-6-2-4-7-5-3-6/h1-4H,5-8H2;7H,1-5H2