(E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(5-bromanylthiophen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(5-bromanylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(5-bromo-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(5-bromo-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(5-bromothiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(5-bromo-2-thienyl)prop-2-en-1-one Formula: C17H24BrN3O3S2 MolecularWeight: 462.42476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(S3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(S3)Br

InChI

InChI=1S/C17H24BrN3O3S2/c18-16-7-5-15(25-16)6-8-17(22)19-11-13-21(14-12-19)26(23,24)20-9-3-1-2-4-10-20/h5-8H,1-4,9-14H2/b8-6+