2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-(azepane-1-carbonyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[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=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H25N3O3S/c20-15-17-7-3-4-8-18(17)26(24,25)22-13-9-16(10-14-22)19(23)21-11-5-1-2-6-12-21/h3-4,7-8,16H,1-2,5-6,9-14H2