(3S)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-prop-2-enyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-prop-2-enyl-piperidine-3-carboxamide Openeye Name: (3S)-N-allyl-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-prop-2-enyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-prop-2-enylpiperidine-3-carboxamide Traditional Name: (3S)-N-allyl-1-(3,4-dichlorobenzyl)sulfonyl-nipecotamide Formula: C16H20Cl2N2O3S MolecularWeight: 391.3126

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1CCCN(C1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C=CCNC(=O)[C@H]1CCCN(C1)S(=O)(=O)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H20Cl2N2O3S/c1-2-7-19-16(21)13-4-3-8-20(10-13)24(22,23)11-12-5-6-14(17)15(18)9-12/h2,5-6,9,13H,1,3-4,7-8,10-11H2,(H,19,21)/t13-/m0/s1