[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[2-(phenoxymethyl)phenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[2-(phenoxymethyl)phenyl]methanone Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3COC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3COC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4S/c28-24(23-13-7-6-10-21(23)20-31-22-11-4-3-5-12-22)25-16-18-27(19-17-25)32(29,30)26-14-8-1-2-9-15-26/h3-7,10-13H,1-2,8-9,14-20H2