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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-thenoyl)piperazino]propan-1-one Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S2/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/h5-8,10-11,19H,1-4,9,12-18H2