[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[5-[(4-methylphenoxy)methyl]furan-2-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[5-[(4-methylphenoxy)methyl]furan-2-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[5-[(4-methylphenoxy)methyl]-2-furyl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[5-[(4-methylphenoxy)methyl]-2-furanyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[5-[(4-methylphenoxy)methyl]furan-2-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[5-[(4-methylphenoxy)methyl]-2-furyl]methanone Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H31N3O5S/c1-19-6-8-20(9-7-19)30-18-21-10-11-22(31-21)23(27)24-14-16-26(17-15-24)32(28,29)25-12-4-2-3-5-13-25/h6-11H,2-5,12-18H2,1H3