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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1CCCN(C1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N2O3S/c1-18-7-6-14-22(17-18)21(24)13-10-19-8-11-20(12-9-19)27(25,26)23-15-4-2-3-5-16-23/h8-13,18H,2-7,14-17H2,1H3/b13-10+