(3S)-1-[(E)-3-[4-(methylsulfonylamino)phenyl]prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(E)-3-[4-(methylsulfonylamino)phenyl]prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-[4-(methanesulfonamido)phenyl]prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-[4-(methanesulfonamido)phenyl]-1-oxoprop-2-enyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-[4-(methanesulfonamido)phenyl]prop-2-enoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-[4-(methanesulfonamido)phenyl]acryloyl]-N-phenyl-nipecotamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C=CC(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)/C=C/C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S/c1-30(28,29)24-20-12-9-17(10-13-20)11-14-21(26)25-15-5-6-18(16-25)22(27)23-19-7-3-2-4-8-19/h2-4,7-14,18,24H,5-6,15-16H2,1H3,(H,23,27)/b14-11+/t18-/m0/s1