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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(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=C(C=C2)NCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

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