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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-o-phenetylpiperazino)methanone Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-2-32-24-10-6-5-9-23(24)26-17-19-27(20-18-26)25(29)21-11-13-22(14-12-21)33(30,31)28-15-7-3-4-8-16-28/h5-6,9-14H,2-4,7-8,15-20H2,1H3