azepan-1-yl-[4-[(phenylmethyl)sulfonylmethyl]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[(phenylmethyl)sulfonylmethyl]phenyl]methanone Openeye Name: azepan-1-yl-[4-(benzylsulfonylmethyl)phenyl]methanone CAS Name: 1-azepanyl-[4-[(phenylmethyl)sulfonylmethyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-(benzylsulfonylmethyl)phenyl]methanone Traditional Name: azepan-1-yl-[4-(benzylsulfonylmethyl)phenyl]methanone Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25NO3S/c23-21(22-14-6-1-2-7-15-22)20-12-10-19(11-13-20)17-26(24,25)16-18-8-4-3-5-9-18/h3-5,8-13H,1-2,6-7,14-17H2