2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4S2/c28-22(25-12-14-26(15-13-25)23(29)21-9-6-16-32-21)18-24-19-7-5-8-20(17-19)33(30,31)27-10-3-1-2-4-11-27/h5-9,16-17,24H,1-4,10-15,18H2