N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-(3-phenylpropylsulfonyl)ethanamide

Systemtic Name: N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-(3-phenylpropylsulfonyl)ethanamide Openeye Name: N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(3-phenylpropylsulfonyl)acetamide CAS Name: N-[4-(3-oxo-1-piperazinyl)phenyl]-2-(3-phenylpropylsulfonyl)acetamide IUPAC Name: N-[4-(3-oxopiperazin-1-yl)phenyl]-2-(3-phenylpropylsulfonyl)acetamide Traditional Name: N-[4-(3-ketopiperazino)phenyl]-2-(3-phenylpropylsulfonyl)acetamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)CS(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)CS(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S/c25-20-15-24(13-12-22-20)19-10-8-18(9-11-19)23-21(26)16-29(27,28)14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,22,25)(H,23,26)