1-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azepan-2-one

Systemtic Name: 1-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azepan-2-one Openeye Name: 1-[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-oxo-ethyl]azepan-2-one CAS Name: 1-[2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]-2-azepanone IUPAC Name: 1-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]azepan-2-one Traditional Name: 1-[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-keto-ethyl]azepan-2-one Formula: C16H22ClN3O4S2 MolecularWeight: 419.94658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H22ClN3O4S2/c17-13-5-6-16(25-13)26(23,24)20-10-8-18(9-11-20)15(22)12-19-7-3-1-2-4-14(19)21/h5-6H,1-4,7-12H2