N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[1,1-bis(oxidanylidene)thiolan-3-yl]piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[1,1-bis(oxidanylidene)thiolan-3-yl]piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(1,1-dioxo-3-thiolanyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(1,1-diketothiolan-3-yl)isonipecotamide Formula: C22H33N3O5S2 MolecularWeight: 483.64452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C22H33N3O5S2/c26-22(18-9-14-24(15-10-18)20-11-16-31(27,28)17-20)23-19-5-7-21(8-6-19)32(29,30)25-12-3-1-2-4-13-25/h5-8,18,20H,1-4,9-17H2,(H,23,26)