azepan-1-yl-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone

Systemtic Name: azepan-1-yl-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone Openeye Name: azepan-1-yl-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone CAS Name: 1-azepanyl-[3-[(4-methylsulfonyl-1-piperazinyl)methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone Traditional Name: azepan-1-yl-[3-[(4-mesylpiperazino)methyl]phenyl]methanone Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-26(24,25)22-13-11-20(12-14-22)16-17-7-6-8-18(15-17)19(23)21-9-4-2-3-5-10-21/h6-8,15H,2-5,9-14,16H2,1H3