(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,5-dimethyl-1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-(3,5-dimethyl-1-piperidinyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,5-dimethylpiperidino)prop-2-en-1-one Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H32N2O3S/c1-18-15-19(2)17-23(16-18)22(25)12-9-20-7-10-21(11-8-20)28(26,27)24-13-5-3-4-6-14-24/h7-12,18-19H,3-6,13-17H2,1-2H3/b12-9+