[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-iodophenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-iodophenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-iodophenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(4-iodophenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-iodophenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(4-iodophenyl)methanone Formula: C17H24IN3O3S MolecularWeight: 477.36023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H24IN3O3S/c18-16-7-5-15(6-8-16)17(22)19-11-13-21(14-12-19)25(23,24)20-9-3-1-2-4-10-20/h5-8H,1-4,9-14H2