azepan-1-yl-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]methanone Openeye Name: azepan-1-yl-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]methanone CAS Name: 1-azepanyl-[4-[(4-ethylsulfonyl-1-piperazinyl)methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]methanone Traditional Name: azepan-1-yl-[4-[(4-esylpiperazino)methyl]phenyl]methanone Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-2-27(25,26)23-15-13-21(14-16-23)17-18-7-9-19(10-8-18)20(24)22-11-5-3-4-6-12-22/h7-10H,2-6,11-17H2,1H3