(E)-1-(benzimidazol-1-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(benzimidazol-1-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(benzimidazol-1-yl)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(1-benzimidazolyl)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(benzimidazol-1-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(benzimidazol-1-yl)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)prop-2-en-1-one Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2C=NC3=CC=CC=C32)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2C=NC3=CC=CC=C32)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23N3O4S/c1-29-20-11-9-17(15-21(20)30(27,28)24-13-5-2-6-14-24)10-12-22(26)25-16-23-18-7-3-4-8-19(18)25/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3/b12-10+