(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(phenylmethyl)piperidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(phenylmethyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzyl-1-piperidyl)-3-(4-morpholinosulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-[4-(phenylmethyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperidino)-3-(4-morpholinosulfonylphenyl)prop-2-en-1-one Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H30N2O4S/c28-25(26-14-12-23(13-15-26)20-22-4-2-1-3-5-22)11-8-21-6-9-24(10-7-21)32(29,30)27-16-18-31-19-17-27/h1-11,23H,12-20H2/b11-8+