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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methyl-1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-(4-methyl-1-piperidinyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methylpiperidin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methylpiperidino)prop-2-en-1-one Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N2O3S/c1-18-12-16-22(17-13-18)21(24)11-8-19-6-9-20(10-7-19)27(25,26)23-14-4-2-3-5-15-23/h6-11,18H,2-5,12-17H2,1H3/b11-8+