(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-piperidin-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-piperidin-1-yl-prop-2-en-1-one Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-(1-piperidinyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-piperidin-1-ylprop-2-en-1-one Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-piperidino-prop-2-en-1-one Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)N3CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)N3CCCCC3

InChI

InChI=1S/C20H28N2O3S/c23-20(21-14-4-3-5-15-21)13-10-18-8-11-19(12-9-18)26(24,25)22-16-6-1-2-7-17-22/h8-13H,1-7,14-17H2/b13-10+