4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-(azepane-1-carbonyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(azepane-1-carbonyl)piperidino]sulfonylbenzonitrile Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H25N3O3S/c20-15-16-5-7-18(8-6-16)26(24,25)22-13-9-17(10-14-22)19(23)21-11-3-1-2-4-12-21/h5-8,17H,1-4,9-14H2