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

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-bromophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-bromophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(4-bromophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-bromophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(4-bromophenyl)prop-2-en-1-one Formula: C19H26BrN3O3S MolecularWeight: 456.39704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H26BrN3O3S/c20-18-8-5-17(6-9-18)7-10-19(24)21-13-15-23(16-14-21)27(25,26)22-11-3-1-2-4-12-22/h5-10H,1-4,11-16H2/b10-7+