(E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-methylthiazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(2-methyl-4-thiazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(2-methylthiazol-4-yl)prop-2-en-1-one Formula: C17H26N4O3S2 MolecularWeight: 398.54334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H26N4O3S2/c1-15-18-16(14-25-15)6-7-17(22)19-10-12-21(13-11-19)26(23,24)20-8-4-2-3-5-9-20/h6-7,14H,2-5,8-13H2,1H3/b7-6+