3-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazin-1-yl]propanenitrile CAS Name: 3-[4-[4-(1-azepanylsulfonyl)phenyl]sulfonyl-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazin-1-yl]propanenitrile Traditional Name: 3-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazino]propionitrile Formula: C19H28N4O4S2 MolecularWeight: 440.58002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CCC#N

InChI

InChI=1S/C19H28N4O4S2/c20-10-5-11-21-14-16-23(17-15-21)29(26,27)19-8-6-18(7-9-19)28(24,25)22-12-3-1-2-4-13-22/h6-9H,1-5,11-17H2