(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [2-chloro-5-(1-piperidylsulfonyl)phenyl]-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: [2-chloro-5-(1-piperidinylsulfonyl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-chloro-5-piperidinosulfonyl-phenyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C25H31ClN3O3S+ MolecularWeight: 489.04994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H30ClN3O3S/c26-24-12-11-22(33(31,32)29-14-5-2-6-15-29)20-23(24)25(30)28-18-16-27(17-19-28)13-7-10-21-8-3-1-4-9-21/h1,3-4,7-12,20H,2,5-6,13-19H2/p+1/b10-7+