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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-thenoyl)piperazino]prop-2-en-1-one Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H29N3O4S2/c28-23(25-15-17-26(18-16-25)24(29)22-6-5-19-32-22)12-9-20-7-10-21(11-8-20)33(30,31)27-13-3-1-2-4-14-27/h5-12,19H,1-4,13-18H2/b12-9+