[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-ethoxy-4-methoxy-phenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-ethoxy-4-methoxy-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-ethoxy-4-methoxy-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3-ethoxy-4-methoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-ethoxy-4-methoxy-phenyl)methanone Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C20H31N3O5S/c1-3-28-19-16-17(8-9-18(19)27-2)20(24)21-12-14-23(15-13-21)29(25,26)22-10-6-4-5-7-11-22/h8-9,16H,3-7,10-15H2,1-2H3