1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(2-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(2-methoxyphenyl)propan-1-one Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O4S/c1-27-19-9-5-4-8-18(19)10-11-20(24)21-14-16-23(17-15-21)28(25,26)22-12-6-2-3-7-13-22/h4-5,8-9H,2-3,6-7,10-17H2,1H3