3-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-(azepan-1-ylmethyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-(1-azepanylmethyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(azepan-1-ylmethyl)piperidino]sulfonylbenzonitrile Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCCN(CC1)CC2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H27N3O2S/c20-15-18-6-5-7-19(14-18)25(23,24)22-12-8-17(9-13-22)16-21-10-3-1-2-4-11-21/h5-7,14,17H,1-4,8-13,16H2