[4-(azepan-1-ylsulfonyl)phenyl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-p-anisylpiperazino)methanone Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O4S/c1-32-23-10-6-21(7-11-23)20-26-16-18-27(19-17-26)25(29)22-8-12-24(13-9-22)33(30,31)28-14-4-2-3-5-15-28/h6-13H,2-5,14-20H2,1H3